SCHEMBL213305

SCHEMBL213305

CCn1ncc2cc(N)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.53
AURKA O14965 1/20 0.53
DAPK3 O43293 1/20 0.53
CSNK1A1 P48729 1/20 0.53
GSK3A P49840 1/20 0.53
LIMK1 P53667 1/20 0.53
IKBKE Q14164 1/20 0.53
MAPK14 Q16539 1/20 0.53
TAOK1 Q7L7X3 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
DYRK1B Q9Y463 1/20 0.53
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
KDM4E B2RXH2 3/20 0.45
RAD52 P43351 1/20 0.45
HASPIN Q8TF76 1/20 0.43
PRKCI P41743 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29200969 0.86 CHEK1 (0.50) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL31039602 0.86 HTR2A (0.45) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL217944 0.86 HTR2A (0.45) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL15428967 0.82 CHEK1 (0.49) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL27730024 0.81 CHEK1 (0.56) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL15712200 0.81 HTR2A (0.56) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL15910531 0.80 CHEK1 (0.48) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL29769123 0.80 KMO (0.45) HTR2AHTR2CHASPINKMOGLS
SCHEMBL7071662 0.80 KMO (0.45) HTR2AHTR2CHASPINKMOGLS
SCHEMBL6386622 0.80 CHEK1 (0.44) CHEK1AURKADAPK3CSNK1A1GSK3A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116332950-A Indazole substituted podophyllotoxin derivative and preparation method and application thereof 汤亚杰 2023-06-27 CN claimed
EP-4724443-A1 PYRAZOLO-PYRIMIDINONE COMPOUNDS FOR USE IN METHODS OF INHIBITING WEE1 A KINASE Acrivon Therapeutics, Inc. (US) 2026-04-15 EP disclosed
WO-2024254490-A1 PYRAZOLO-PYRIMIDINONE COMPOUNDS FOR USE IN METHODS OF INHIBITING WEE1 A KINASE ACRIVON THERAPEUTICS, INC. (US) 2024-12-12 WO disclosed
EP-3628044-B1 PYRROLO[2,3-C]PYRIDINES AND RELATED ANALOGS AS LSD-1 INHIBITORS UNIV MICHIGAN REGENTS (US) 2023-11-22 EP disclosed
CN-116332950-A Indazole substituted podophyllotoxin derivative and preparation method and application thereof 汤亚杰 2023-06-27 CN disclosed
EP-1885369-B1 FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2015-09-23 EP disclosed
WO-2015018356-A1 DIARYLHYDANTOIN DERIVATIVE, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF 上海医药集团股份有限公司 (CN) 2015-02-12 WO disclosed
CN-104341396-A Diaryl hydantoin derivative, as well as preparation method, medicine composition and application thereof SHANGHAI PHARMACEUTICALS HOLDING CO LTD 2015-02-11 CN disclosed
US-8859545-B2 Tetrahydronaphthyridine and tetrahydropyrido[4,3-D]pyrimidine compounds and compositions thereof useful for the treatment of inflammatory and respiratory diseases EVOTEC AG (DE) 2014-10-14 US disclosed
US-8859545-B2 Tetrahydronaphthyridine and tetrahydropyrido[4,3-D]pyrimidine compounds and compositions thereof useful for the treatment of inflammatory and respiratory diseases EVOTEC AG (DE) 2014-10-14 US disclosed
WO-2010098367-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-02 WO disclosed
US-7745451-B2 2,3-Difluoro-benzyl)-[6-(5-methyl-pyridin-2-yl)-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-4-yl]-amine, useful for the prevention and treatment of pain, inflammation, cognitive disorders, anxiety and depression in humans RENOVIS, INC. (US) 2010-06-29 US disclosed
US-7745451-B2 2,3-Difluoro-benzyl)-[6-(5-methyl-pyridin-2-yl)-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-4-yl]-amine, useful for the prevention and treatment of pain, inflammation, cognitive disorders, anxiety and depression in humans RENOVIS, INC. (US) 2010-06-29 US disclosed
US-7414131-B2 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-08-19 US disclosed
US-7414131-B2 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-08-19 US disclosed
US-7312330-B2 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2007-12-25 US disclosed
US-7312330-B2 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2007-12-25 US disclosed
WO-2007088478-A1 INDAZOLE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS PFIZER PRODUCTS INC. (US) 2007-08-09 WO disclosed
WO-2006119504-A2 FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2006-11-09 WO disclosed
WO-2003030909-A1 2- AND 4-AMINOPYRIMIDINES N-SUBSTTITUDED BY A BICYCLIC RING FOR USE AS KINASE INHIBITORS IN THE TREATMENT OF CANCER BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-17 WO disclosed