SCHEMBL24632689

SCHEMBL24632689

CC(C)N1CC(=O)Cc2c(F)cc(-c3nc(Nc4ccc(N5CCC(N(C)C)CC5)cn4)ncc3F)cc21

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 20/20 0.71
▸ CDK6 Q00534 19/20 0.71
▸ CDK2 P24941 6/20 0.71
▸ CCNA2 P20248 5/20 0.71
▸ CCNK O75909 3/20 0.71
▸ CDK9 P50750 3/20 0.71
▸ CDK5 Q00535 2/20 0.71
▸ CDK7 P50613 1/20 0.71
▸ CCNH P51946 1/20 0.71
▸ CDK5R1 Q15078 1/20 0.71
▸ CSF1R P07333 9/20 0.58
▸ CCND3 P30281 1/20 0.57
▸ PIK3CD O00329 3/20 0.56

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
SCHEMBL24632847 0.89 CDK6 (0.70) CDK4CDK6CDK2CCNA2CCNK
SCHEMBL24632711 0.88 CDK4 (0.75) CDK4CDK6CDK2CCNA2CCNK
SCHEMBL24632946 0.87 CDK4 (0.71) CDK4CDK6CDK2CCNA2CCNK
SCHEMBL24632686 0.86 CSF1R (0.70) CDK4CDK6CDK2CCNA2CCNK
SCHEMBL24632691 0.86 CDK6 (0.72) CDK4CDK6CDK2CCNA2CCNK
SCHEMBL24632684 0.86 CDK4 (0.57) CDK4CDK6CDK2CCNA2CCNK
SCHEMBL24632908 0.84 CDK4 (0.73) CDK4CDK6CDK2CCNA2CCNK
SCHEMBL24632534 0.84 CDK4 (0.75) CDK4CDK6CDK2CCNA2CCNK
SCHEMBL24632868 0.84 CDK6 (0.68) CDK4CDK6CDK2CCNA2CCNK
SCHEMBL24632746 0.84 CDK4 (0.75) CDK4CDK6CDK2CCNA2CCNK

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
WO-2022236256-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC. (US) 2022-11-10 — — WO disclosed
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