SCHEMBL7090159

SCHEMBL7090159

O=C1c2ccccc2-c2[nH]nc(-c3ccccc3)c21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 12/20 0.71
CCND1 P24385 11/20 0.71
CDK2 P24941 9/20 0.71
CCNE2 O96020 8/20 0.71
CCNE1 P24864 8/20 0.71
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
KDR P35968 1/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL7148608 0.89 CDK4 (0.66) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL4816704 0.87 CDK4 (0.68) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL7145484 0.87 CDK4 (0.68) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL7146443 0.87 CDK4 (0.68) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL12856433 0.86 CDK2 (0.55) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL20035506 0.85 ALDH1A1 (0.53) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL18292498 0.81 NPSR1 (0.54) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL7091188 0.79 CCNE2 (0.69) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL7140772 0.77 CDK4 (0.70) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL7147568 0.77 CDK4 (0.67) CDK4CCND1CDK2CCNE2CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6534655-B1 Administering as anti-angiogenic compounds or to inhibit vascular hyperpermeability BASF AKTIENGESELLSCHAFT (DE) 2003-03-18 US disclosed
EP-1289525-A2 TRICYCLIC PYRAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS Abbott GmbH & Co. KG (DE) 2003-03-12 EP disclosed
US-6462036-B1 INHIBITING SIGNAL TRANSDUCTION BY MODULATING ACTIVITY OF RECEPTOR AND NONRECEPTOR TYROSINE AND SERINE/THREONINE KINASES TO REGULATE AND MODULATE ABNORMAL OR INAPPROPRIATE CELL PROLIFERATION, DIFFERENTIATION, OR METABOLISM BASF AKTIENGESELLSCHAFT (DE) 2002-10-08 US disclosed
WO-2001087846-A2 TRICYCLIC PYRAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS ABBOTT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG & COMPANY KOMMANDITGESELLSCHAFT (DE) 2001-11-22 WO disclosed
EP-1127051-A2 TRICYCLIC PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2001-08-29 EP disclosed
EP-1021182-A1 INDENO[1,2-C] PYRAZOLE DERIVATIVES FOR INHIBITING TYROSINE KINASE ACTIVITY BASF AKTIENGESELLSCHAFT (DE) 2000-07-26 EP disclosed
WO-2000027822-A2 TRICYCLIC PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-05-18 WO disclosed
WO-1999017770-A1 INDENO[1,2-C]PYRAZOLE DERIVATIVES FOR INHIBITING TYROSINE KINASE ACTIVITY BASF AKTIENGESELLSCHAFT (DE) 1999-04-15 WO disclosed