SCHEMBL6781237

SCHEMBL6781237

CCn1cnc2c(Nc3cccc(NC(=O)C#Cc4cccc(C)c4)c3)nc(NC3CCC(O)CC3)nc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 16/20 0.68
PRKCA P17252 3/20 0.54
CCNB1 P14635 2/20 0.51
CCNB2 O95067 1/20 0.51
CCNB3 Q8WWL7 1/20 0.51
EGFR P00533 2/20 0.48
CCNE1 P24864 5/20 0.48
CDK2 P24941 5/20 0.48
PDGFRA P16234 4/20 0.48
NPC1 O15118 1/20 0.46
CCNT1 O60563 1/20 0.46
CDK4 P11802 1/20 0.46
EIF2AK2 P19525 1/20 0.46
CCNA2 P20248 1/20 0.46
CCND1 P24385 1/20 0.46
CCND3 P30281 1/20 0.46
MTOR P42345 1/20 0.46
CLK1 P49759 1/20 0.46
CLK2 P49760 1/20 0.46
CDK7 P50613 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
SCHEMBL6574743 0.94 CDK1 (0.67) CDK1PRKCACCNB1CCNB2CCNB3
SCHEMBL6574741 0.94 CDK1 (0.67) CDK1PRKCACCNB1CCNB2CCNB3
SCHEMBL6574902 0.94 CDK1 (0.71) CDK1PRKCACCNB1CCNB2CCNB3
SCHEMBL6574904 0.94 CDK1 (0.71) CDK1PRKCACCNB1CCNB2CCNB3
SCHEMBL6574826 0.92 CDK1 (0.65) CDK1PRKCACCNB1CCNB2CCNB3
SCHEMBL6781136 0.91 CDK1 (0.76) CDK1PRKCACCNB1CCNB2CCNB3
SCHEMBL6578447 0.90 CDK1 (0.63) CDK1PRKCACCNB1CCNB2CCNB3
SCHEMBL6576950 0.90 CDK1 (0.71) CDK1PRKCACCNB1CCNB2CCNB3
SCHEMBL6578444 0.90 CDK1 (0.71) CDK1PRKCACCNB1CCNB2CCNB3
SCHEMBL6576169 0.90 CDK1 (0.71) CDK1PRKCACCNB1CCNB2CCNB3

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
US-6767906-B2 INHIBIT P34CDC2/CYCLIN BCDC13 KINASE AND PROTEIN TYROSINE KINASE PP60C-SRC AND CAN BE USED FOR TREATMENT OF HYPERPROLIFERATIVE DISEASES, FOR EXAMPLE CHEMOTHERAPY OF TUMOURS OR OSTEOPOROSIS. NOVARTIS AG (CH) 2004-07-27 US claimed