SCHEMBL29602147

SCHEMBL29602147

Nc1cc(-c2cnccn2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.50
HSP90AA1 P07900 1/20 0.50
PIK3CD O00329 1/20 0.50
PIK3CA P42336 1/20 0.50
PIK3CB P42338 1/20 0.50
PI4KA P42356 1/20 0.50
PIK3CG P48736 1/20 0.50
PI4KB Q9UBF8 1/20 0.50
MAPT P10636 2/20 0.48
PIM2 Q9P1W9 3/20 0.46
PIM1 P11309 2/20 0.46
PIM3 Q86V86 1/20 0.46
LATS1 O95835 1/20 0.45
LATS2 Q9NRM7 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
KCNH2 Q12809 2/20 0.43
PIK3C3 Q8NEB9 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42

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
SCHEMBL28684286 1.00 DYRK1A (0.50) DYRK1AHSP90AA1PIK3CDPIK3CAPIK3CB
SCHEMBL20169521 0.82 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL1704539 0.80 ADORA2B (0.51) DYRK1AHSP90AA1PIK3CDPIK3CAPIK3CB
SCHEMBL4402187 0.76 DYRK1A (0.63) DYRK1API4KAPI4KBMAPTPIK3C3
SCHEMBL30935767 0.76 DYRK1A (0.63) DYRK1API4KAPI4KBMAPTPIK3C3
SCHEMBL1592142 0.76 ASIC3 (0.62) DYRK1AMAPTMKNK1MKNK2KDM4E
SCHEMBL4707361 0.76 MEN1 (0.59) DYRK1APIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL22334571 0.76 PIK3CD (0.45) HSP90AA1PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL28051992 0.75 ADORA3 (0.59) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL902145 0.75 KARS1 (0.44) DYRK1AHSP90AA1PIK3CDPIK3CAPIK3CB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4232449-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES Celgene Corporation (US) 2023-08-30 EP disclosed
CN-116547282-A Heterocyclic compounds and their use for the treatment of helminth infections and diseases 新基公司 2023-08-04 CN disclosed
CN-113956236-B Phthalimide compound and application thereof 中国医学科学院药物研究所 2023-01-06 CN disclosed
CN-113929662-B Succinimide or maleimide compound and use thereof 中国医学科学院药物研究所 2023-01-06 CN disclosed
CN-109867661-B Amide compounds for regulating WNT signal pathway and application thereof 中国医学科学院药物研究所 2022-07-19 CN disclosed
WO-2022087326-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CELGENE CORPORATION (US) 2022-04-28 WO disclosed