SCHEMBL7092319

SCHEMBL7092319

Cc1ccc(-c2n[nH]c3c2/C(=N/O)c2ccccc2-3)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 13/20 0.48
CCND1 P24385 12/20 0.48
CDK2 P24941 11/20 0.48
CCNE2 O96020 10/20 0.48
CCNE1 P24864 10/20 0.48
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
TP53 P04637 1/20 0.37
CHEK1 O14757 1/20 0.36

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
SCHEMBL7092321 1.00 CDK4 (0.48) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL7093703 0.88 CCNE2 (0.45) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL7093702 0.88 CCNE2 (0.45) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL7090323 0.80 PDE4A (0.49) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL7090322 0.80 PDE4A (0.49) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL20035506 0.70 ALDH1A1 (0.53) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL11163282 0.66 MEN1 (0.55) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL6967709 0.66 KDR (0.78) CDK2CHEK1
SCHEMBL7090159 0.65 CDK4 (0.71) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL28024981 0.65 KMT2A (0.52) MEN1KMT2ASMN1; SMN2ALDH1A1MAPK1

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