SCHEMBL1095

SCHEMBL1095

Cc1nn(C)c(C(N)=O)c1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 2/20 0.49
CDK8 P49336 2/20 0.49
ACVR1 Q04771 2/20 0.49
DAPK3 O43293 1/20 0.49
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49
PRKACA P17612 1/20 0.49
LTK P29376 1/20 0.49
KDR P35968 1/20 0.49
MAP2K2 P36507 1/20 0.49
MAPK8 P45983 1/20 0.49
CSNK1A1 P48729 1/20 0.49
CLK2 P49760 1/20 0.49
CDK9 P50750 1/20 0.49
CDK5 Q00535 1/20 0.49
MAP2K1 Q02750 1/20 0.49
PRKCQ Q04759 1/20 0.49
ROCK1 Q13464 1/20 0.49
DYRK1A Q13627 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49

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
Hydrochloric Acid SCHEMBL10919018 0.98 PIM3 (0.47) PIM3CDK8ACVR1DAPK3PRKD3
SCHEMBL6363938 0.83 KDM4E (0.44) PIM3CDK8ACVR1DAPK3PRKD3
SCHEMBL4166587 0.81 KDM4E (0.46) PIM3CDK8ACVR1DAPK3PRKD3
Hydrochloric Acid SCHEMBL28348295 0.79 KDM4E (0.44) PIM3CDK8ACVR1DAPK3PRKD3
SCHEMBL11272207 0.79 KDM4E (0.45) PIM3CDK8ACVR1DAPK3PRKD3
SCHEMBL10961400 0.79 KDM4E (0.49) PIM3CDK8ACVR1DAPK3PRKD3
SCHEMBL10915710 0.79 KDM4E (0.41) PIM3CDK8ACVR1DAPK3PRKD3
SCHEMBL31735543 0.78 SMN1; SMN2 (0.37) PIM3CDK8ACVR1DAPK3PRKD3
SCHEMBL15230652 0.78 SMN1; SMN2 (0.48) PIM3CDK8ACVR1DAPK3PRKD3
SCHEMBL9410482 0.78 KDM4E (0.66) PIM3CDK8ACVR1DAPK3PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020263935-A1 HCK DEGRADERS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-12-30 WO disclosed
EP-2499143-B1 N7-SUBSTITUTED PURINE AND PYRAZOLOPYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2016-03-16 EP disclosed
US-8828990-B2 N-7 substituted purine and pyrazolopyrimine compounds, compositions and methods of use GENENTECH, INC. (US) 2014-09-09 US disclosed
US-8828990-B2 N-7 substituted purine and pyrazolopyrimine compounds, compositions and methods of use GENENTECH, INC. (US) 2014-09-09 US disclosed
US-8828990-B2 N-7 substituted purine and pyrazolopyrimine compounds, compositions and methods of use GENENTECH, INC. (US) 2014-09-09 US disclosed
EP-1400522-B1 COMPOUNDS FOR TREATING IMPOTENCE GUANGZHOU YOUCARE BIOPHARMACEATICS CO LTD (CN) 2014-08-06 EP disclosed
CN-102712642-A N-7 substituted purine and pyrazolopyrimidine compounds, compositions and methods of use HOFFMANN LA ROCHE 2012-10-03 CN disclosed
EP-2499143-A1 N-7 SUBSTITUTED PURINE AND PYRAZOLOPYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2012-09-19 EP disclosed
WO-2011058025-A1 N-7 SUBSTITUTED PURINE AND PYRAZOLOPYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 WO disclosed
WO-2011058025-A1 N-7 SUBSTITUTED PURINE AND PYRAZOLOPYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 WO disclosed
US-4663326-A CARDIOTONIC, BRONCHODILATION WARNER-LAMBERT COMPANY (US) 1987-05-05 US disclosed
EP-0095289-B1 IMIDAZO(1,2-C)PYRAZOLO(3,4-E)PYRIMIDINES AND THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1986-12-30 EP disclosed
EP-0201188-A2 5-Substituted pyrazolo[4,3-d] pyrimidine-7-ones, process for preparing the compounds and pharmaceutical compositions comprising the compounds WARNER-LAMBERT COMPANY (US) 1986-12-17 EP disclosed
EP-0023707-B1 SUBSTITUTED TETRAAZATRICYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICINES CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1986-04-30 EP disclosed
US-4469868-A ANTIPSYCHOTIC ANGENTS WARNER-LAMBERT COMPANY (US) 1984-09-04 US disclosed
EP-0095289-A2 Imidazo(1,2-c)pyrazolo(3,4-e)pyrimidines and their production WARNER-LAMBERT COMPANY (US) 1983-11-30 EP disclosed
EP-0064775-A1 Substituted tetraazatricyclic compounds, process for their preparation and their use Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1982-11-17 EP disclosed
US-4317823-A FOR TREATMENT OF GASTROINTESTINAL DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-03-02 US disclosed
EP-0023707-A1 Substituted tetraazatricyclic compounds, process for their preparation, their use and medicines containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1981-02-11 EP disclosed
US-3939161-A ANTIINFLAMMATORY, ANTISECRETORY ABBOTT LABORATORIES (US) 1976-02-17 US disclosed