SCHEMBL6574902

SCHEMBL6574902

CCn1cnc2c(Nc3cccc(NC(=O)C#Cc4ccccc4)c3)nc(NC3CCC(O)CC3)nc21

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 15/20 0.71
PRKCA P17252 2/20 0.56
CCNB2 O95067 1/20 0.52
CCNB1 P14635 1/20 0.52
CCNB3 Q8WWL7 1/20 0.52
PDGFRA P16234 5/20 0.50
CCNE1 P24864 5/20 0.50
CDK2 P24941 5/20 0.50
EGFR P00533 1/20 0.50

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
SCHEMBL6574904 1.00 CDK1 (0.71) CDK1PRKCACCNB2CCNB1CCNB3
SCHEMBL6574743 0.94 CDK1 (0.67) CDK1PRKCACCNB2CCNB1CCNB3
SCHEMBL6574741 0.94 CDK1 (0.67) CDK1PRKCACCNB2CCNB1CCNB3
SCHEMBL6576509 0.94 CDK1 (0.71) CDK1PRKCACCNB2CCNB1CCNB3
SCHEMBL6578444 0.94 CDK1 (0.71) CDK1PRKCACCNB2CCNB1CCNB3
SCHEMBL6576950 0.94 CDK1 (0.71) CDK1PRKCACCNB2CCNB1CCNB3
SCHEMBL6576169 0.94 CDK1 (0.71) CDK1PRKCACCNB2CCNB1CCNB3
SCHEMBL6781237 0.94 CDK1 (0.68) CDK1PRKCACCNB2CCNB1CCNB3
SCHEMBL6577025 0.92 CDK1 (0.72) CDK1PRKCACCNB2CCNB1CCNB3
SCHEMBL6574888 0.92 CDK1 (0.72) CDK1PRKCACCNB2CCNB1CCNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1153024-B1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2004-04-28 EP disclosed