SCHEMBL7090918

SCHEMBL7090918

O=C(O)CCCOc1cccc(-c2n[nH]c3c2Cc2ccccc2-3)c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.58
CHEK1 O14757 3/20 0.50
CDK1 P06493 1/20 0.49
CDK2 P24941 1/20 0.49
FFAR4 Q5NUL3 3/20 0.47
FFAR1 O14842 1/20 0.47
PDGFRB P09619 1/20 0.45
FABP4 P15090 1/20 0.43
HIF1A Q16665 1/20 0.41

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
SCHEMBL6995193 0.92 KDR (0.55) KDRCHEK1CDK1CDK2PDGFRB
SCHEMBL7000821 0.91 KDR (0.62) KDRCHEK1CDK1CDK2PDGFRB
SCHEMBL7002255 0.88 KDR (0.61) KDRCHEK1CDK1CDK2PDGFRB
SCHEMBL7090397 0.88 KDR (0.50) KDRCHEK1CDK1CDK2PDGFRB
SCHEMBL7088696 0.85 KDR (0.57) KDRCHEK1CDK1CDK2PDGFRB
SCHEMBL7700936 0.84 KDR (0.55) KDRCHEK1CDK1CDK2PDGFRB
SCHEMBL7144911 0.82 KDR (0.56) KDRCHEK1CDK1CDK2PDGFRB
SCHEMBL7700924 0.82 KDR (0.67) KDRCHEK1CDK2
SCHEMBL7093643 0.82 KDR (0.53) KDRCHEK1CDK1CDK2PDGFRB
SCHEMBL7703314 0.82 KDR (0.53) KDRCHEK1CDK1CDK2PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1127051-A2 TRICYCLIC PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2001-08-29 EP claimed
WO-2000027822-A2 TRICYCLIC PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-05-18 WO claimed
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
WO-2000027822-A2 TRICYCLIC PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-05-18 WO disclosed