SCHEMBL6964034

SCHEMBL6964034

c1ccc2c(c1)Cc1c(-c3ccsc3)n[nH]c1-2

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.69
CDK1 P06493 1/20 0.68
CDK2 P24941 1/20 0.68
CHEK1 O14757 1/20 0.61
KIT P10721 13/20 0.58
FLT1 P17948 13/20 0.58
FLT4 P35916 2/20 0.58
TEK Q02763 2/20 0.58
LCK P06239 1/20 0.54
CYP3A4 P08684 1/20 0.54
FGFR1 P11362 1/20 0.54
FGFR2 P21802 1/20 0.54
FGFR4 P22455 1/20 0.54
FGFR3 P22607 1/20 0.54

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
SCHEMBL6968182 0.82 KDR (1.00) KDRCDK1CDK2CHEK1
SCHEMBL29819445 0.82 KDR (1.00) KDRCDK1CDK2CHEK1
SCHEMBL6969778 0.81 CDK1 (1.00) KDRCDK1CDK2CHEK1
SCHEMBL29644972 0.81 CDK1 (1.00) KDRCDK1CDK2CHEK1
SCHEMBL4815619 0.80 KDR (0.60) KDRCHEK1KITFLT1FLT4
SCHEMBL4813873 0.79 KDR (0.60) KDRCDK1CDK2CHEK1KIT
SCHEMBL7002715 0.77 KDR (0.78) KDRCDK1CDK2CHEK1KIT
SCHEMBL7089495 0.77 KDR (0.78) KDRCDK1CDK2CHEK1
SCHEMBL6967709 0.77 KDR (0.78) KDRCDK1CDK2CHEK1
SCHEMBL7000053 0.77 CHEK1 (0.97) KDRCDK1CDK2CHEK1

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