SCHEMBL28523935

SCHEMBL28523935

CCOC(=O)c1cc2cnc(Cl)nc2n1C1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 18/20 0.47
CCND1 P24385 12/20 0.47
CCND3 P30281 8/20 0.44
CDK2 P24941 4/20 0.44
CCNE1 P24864 2/20 0.44
CDK6 Q00534 2/20 0.44
FGFR1 P11362 1/20 0.44
CCNA2 P20248 1/20 0.44
FGFR2 P21802 1/20 0.44
FGFR4 P22455 1/20 0.44
FGFR3 P22607 1/20 0.44
CCND2 P30279 1/20 0.43
CDK1 P06493 1/20 0.39
CDK9 P50750 1/20 0.39

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
SCHEMBL20425411 0.87 CDK4 (0.53) CDK4CCND1CCND3CDK2CCNE1
SCHEMBL31372001 0.87 CDK4 (0.53) CDK4CCND1CCND3CDK2CCNE1
SCHEMBL22174807 0.86 CDK4 (0.47) CDK4CCND1CCND3CDK2CCNE1
SCHEMBL25091255 0.84 MEN1 (0.48) CDK4CCND1CCND3CDK2CCNE1
SCHEMBL25091286 0.84 MEN1 (0.47) CDK4CCND1CCND3CDK2CCNE1
SCHEMBL19711678 0.83 CDK4 (0.51) CDK4CCND1CCND3CDK2CCNE1
SCHEMBL31106629 0.82 CDK4 (0.54) CDK4CCND1CCND3CDK2CCNE1
SCHEMBL22174941 0.82 CDK4 (0.49) CDK4CCND1CCND3CDK2CCNE1
SCHEMBL22174830 0.82 CDK4 (0.49) CDK4CCND1CCND3CDK2CCNE1
SCHEMBL1991171 0.82 CDK4 (0.50) CDK4CCND1CCND3CDK2CCNE1

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
CN-108586356-B Ribociclib new intermediate and synthetic method for preparing Ribociclib by using same 杭州科巢生物科技有限公司 2021-02-19 CN disclosed