SCHEMBL7146443

SCHEMBL7146443

O=C1c2ccccc2-c2[nH]nc(-c3ccc(Cl)cc3)c21

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 16/20 0.68
CCND1 P24385 15/20 0.68
CDK2 P24941 13/20 0.68
CCNE2 O96020 12/20 0.68
CCNE1 P24864 12/20 0.68
ADORA2A P29274 1/20 0.54
ADORA1 P30542 1/20 0.54
MAOB P27338 1/20 0.46
ALPL P05186 1/20 0.44
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43

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
SCHEMBL7090159 0.87 CDK4 (0.71) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL4816704 0.85 CDK4 (0.68) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL7145484 0.85 CDK4 (0.68) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL7148608 0.83 CDK4 (0.66) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL8423884 0.78 ALDH1A1 (0.51) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL7091188 0.77 CCNE2 (0.69) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL7140772 0.75 CDK4 (0.70) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL12856433 0.74 CDK2 (0.55) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL7093050 0.74 CCNE1 (0.55) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL20035506 0.73 ALDH1A1 (0.53) CDK4CCND1CDK2CCNE2CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6534655-B1 Administering as anti-angiogenic compounds or to inhibit vascular hyperpermeability BASF AKTIENGESELLSCHAFT (DE) 2003-03-18 US disclosed
EP-1021182-A1 INDENO[1,2-C] PYRAZOLE DERIVATIVES FOR INHIBITING TYROSINE KINASE ACTIVITY BASF AKTIENGESELLSCHAFT (DE) 2000-07-26 EP disclosed
WO-1999017770-A1 INDENO[1,2-C]PYRAZOLE DERIVATIVES FOR INHIBITING TYROSINE KINASE ACTIVITY BASF AKTIENGESELLSCHAFT (DE) 1999-04-15 WO disclosed