SCHEMBL7148608

SCHEMBL7148608

O=C1c2ccccc2-c2[nH]nc(-c3ccncc3)c21

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 14/20 0.66
CDK2 P24941 13/20 0.66
CCND1 P24385 13/20 0.66
CCNE2 O96020 11/20 0.66
CCNE1 P24864 11/20 0.66
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52
CDK1 P06493 1/20 0.51
IDO1 P14902 1/20 0.49
NPC1 O15118 2/20 0.48
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
MAPK10 P53779 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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 0.89 CDK4 (0.71) CDK4CDK2CCND1CCNE2CCNE1
SCHEMBL7093050 0.84 CCNE1 (0.55) CDK4CDK2CCND1CCNE2CCNE1
SCHEMBL7145484 0.83 CDK4 (0.68) CDK4CDK2CCND1CCNE2CCNE1
SCHEMBL7146443 0.83 CDK4 (0.68) CDK4CDK2CCND1CCNE2CCNE1
SCHEMBL4816704 0.83 CDK4 (0.68) CDK4CDK2CCND1CCNE2CCNE1
SCHEMBL4027696 0.79 CDK2 (0.72) CDK4CDK2CCND1CCNE2CCNE1
SCHEMBL6995067 0.76 CDK4 (0.57) CDK4CDK2CCND1CCNE2CCNE1
SCHEMBL12856433 0.76 CDK2 (0.55) CDK4CDK2CCND1CCNE2CCNE1
SCHEMBL7091188 0.76 CCNE2 (0.69) CDK4CDK2CCND1CCNE2CCNE1
SCHEMBL4030482 0.75 CCNE2 (1.00) CDK4CDK2CCND1CCNE2CCNE1

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