SCHEMBL7092402

SCHEMBL7092402

CC(C)C(=O)Nc1ccc2c(c1)Cc1c(-c3ccccc3)n[nH]c1-2

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.55
KDR P35968 3/20 0.54
CHEK1 O14757 14/20 0.53
PDGFRB P09619 1/20 0.52
CDK1 P06493 1/20 0.46
CDK2 P24941 1/20 0.46

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
SCHEMBL7698778 0.92 KDR (0.52) KMT2AKDRCHEK1PDGFRBCDK1
SCHEMBL7094246 0.90 CHEK1 (0.54) KDRCHEK1PDGFRB
SCHEMBL7002083 0.89 CHEK1 (0.55) KDRCHEK1PDGFRB
SCHEMBL7091922 0.88 CHEK1 (0.55) KDRCHEK1PDGFRB
SCHEMBL6996407 0.88 CHEK1 (0.59) KDRCHEK1PDGFRBCDK1CDK2
SCHEMBL7704724 0.87 CHEK1 (0.60) KDRCHEK1PDGFRBCDK1CDK2
SCHEMBL7096556 0.87 CHEK1 (0.58) KDRCHEK1PDGFRB
SCHEMBL6992949 0.85 KDR (0.54) KDRCHEK1PDGFRBCDK1CDK2
SCHEMBL7092465 0.85 KDR (0.56) KDRCHEK1PDGFRB
SCHEMBL7092071 0.83 PARP1 (0.62) KDRCHEK1PDGFRB

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