SCHEMBL6970245

SCHEMBL6970245

COc1ccc(-c2n[nH]c3c2Cc2ccccc2-3)cc1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.72
CHEK1 O14757 10/20 0.67
CDK2 P24941 2/20 0.67
CDK1 P06493 1/20 0.67
HIF1A Q16665 2/20 0.64
PDGFRB P09619 4/20 0.60
KIT P10721 3/20 0.59
CCNE2 O96020 1/20 0.55
CDK4 P11802 1/20 0.55
CCND1 P24385 1/20 0.55
CCNE1 P24864 1/20 0.55

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
SCHEMBL6967822 0.86 KDR (0.67) KDRCHEK1CDK2CDK1HIF1A
SCHEMBL6967709 0.85 KDR (0.78) KDRCHEK1CDK2CDK1PDGFRB
SCHEMBL29819445 0.84 KDR (1.00) KDRCHEK1CDK2CDK1PDGFRB
SCHEMBL6968182 0.84 KDR (1.00) KDRCHEK1CDK2CDK1PDGFRB
SCHEMBL7701857 0.83 KDR (0.67) KDRCHEK1CDK2CDK1HIF1A
SCHEMBL7089647 0.83 KDR (0.67) KDRCHEK1CDK2CDK1HIF1A
SCHEMBL11861280 0.83 PDGFRB (0.66) KDRCHEK1CDK2CDK1HIF1A
SCHEMBL7089645 0.83 KDR (0.67) KDRCHEK1CDK2CDK1HIF1A
SCHEMBL7000053 0.82 CHEK1 (0.97) KDRCHEK1CDK2CDK1
SCHEMBL7002715 0.82 KDR (0.78) KDRCHEK1CDK2CDK1PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1023063-B1 INDENO[1,2-c], NAPHTHO[1,2-c]- AND BENZO[6,7]CYCLOHEPTA[1,2-c]PYRAZOLE DERIVATIVES ABBOTT GMBH & CO KG (DE) 2003-09-10 EP disclosed
US-6451834-B1 Indeno[1,2-c]-, naphtho[1,2-c]- and benzo[6,7]cyclohepta[1,2-c]pyrazole derivatives BASF AKTIENGESELLSCHAFT (DE) 2002-09-17 US disclosed
EP-1023063-A1 INDENO 1,2-c]-, NAPHTHO 1,2-c]- AND BENZO 6,7]CYCLOHEPTA 1,2-c]PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-08-02 EP disclosed
WO-1999017769-A1 INDENO[1,2-c]-, NAPHTHO[1,2-c]- AND BENZO[6,7]CYCLOHEPTA[1,2-c]PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1999-04-15 WO disclosed