SCHEMBL6967822

SCHEMBL6967822

COc1cccc(-c2n[nH]c3c2Cc2ccccc2-3)c1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.67
HIF1A Q16665 3/20 0.63
PDGFRB P09619 4/20 0.59
CDK1 P06493 1/20 0.59
CDK2 P24941 1/20 0.59
CHEK1 O14757 7/20 0.56
GAA P10253 1/20 0.56
KIT P10721 1/20 0.50

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
SCHEMBL6970245 0.86 KDR (0.72) KDRHIF1APDGFRBCDK1CDK2
SCHEMBL7002255 0.83 KDR (0.61) KDRHIF1APDGFRBCDK1CDK2
SCHEMBL11861280 0.82 PDGFRB (0.66) KDRHIF1APDGFRBCDK1CDK2
SCHEMBL7144911 0.82 KDR (0.56) KDRHIF1APDGFRBCDK1CDK2
SCHEMBL7001124 0.82 KDR (0.74) KDRPDGFRBCDK1CDK2CHEK1
SCHEMBL7000821 0.82 KDR (0.62) KDRHIF1APDGFRBCDK1CDK2
SCHEMBL7700936 0.81 KDR (0.55) KDRHIF1APDGFRBCDK1CDK2
SCHEMBL6968182 0.81 KDR (1.00) KDRPDGFRBCDK1CDK2CHEK1
SCHEMBL29819445 0.81 KDR (1.00) KDRPDGFRBCDK1CDK2CHEK1
SCHEMBL7088696 0.81 KDR (0.57) KDRHIF1APDGFRBCDK1CDK2

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 11 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
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
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
WO-2001087846-A2 TRICYCLIC PYRAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS ABBOTT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG & COMPANY KOMMANDITGESELLSCHAFT (DE) 2001-11-22 WO disclosed
EP-1140922-A1 4-TRIFLUOROMETHYL-3-OXADIAZOLYL PYRIDINES, METHODS FOR THE PRODUCTION THEREOF, AGENTS CONTAINING THESE COMPOUNDS, AND THEIR USE AS PESTICIDES Aventis CropScience GmbH (DE) 2001-10-10 EP disclosed
EP-1127051-A2 TRICYCLIC PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2001-08-29 EP 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-2000035913-A1 4-TRIFLUOROMETHYL-3-OXADIAZOLYL PYRIDINES, METHODS FOR THE PRODUCTION THEREOF, AGENTS CONTAINING THESE COMPOUNDS, AND THEIR USE AS PESTICIDES AVENTIS CROPSCIENCE GMBH (DE) 2000-06-22 WO disclosed
WO-2000027822-A2 TRICYCLIC PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-05-18 WO 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