SCHEMBL24632775

SCHEMBL24632775

CC(C)N1C(=O)CSc2c(F)cc(-c3nc(Nc4ccc(C5CCNCC5)c(F)c4)ncc3F)cc21

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 20/20 0.64
▸ CDK6 Q00534 20/20 0.64
▸ CSF1R P07333 15/20 0.64
▸ CCNA2 P20248 4/20 0.53
▸ CDK2 P24941 4/20 0.53
▸ CCNK O75909 2/20 0.53
▸ CDK7 P50613 2/20 0.53
▸ CDK9 P50750 2/20 0.53
▸ CCNH P51946 2/20 0.53
▸ CDK5 Q00535 2/20 0.53
▸ CDK5R1 Q15078 2/20 0.53
▸ PIK3CD O00329 5/20 0.50
▸ CCNE1 P24864 1/20 0.47

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
SCHEMBL24632646 0.86 CDK4 (0.63) CDK4CDK6CSF1RCCNA2CDK2
SCHEMBL24632938 0.85 CDK6 (0.74) CDK4CDK6CSF1RCCNA2CDK2
SCHEMBL24632772 0.83 CDK4 (0.48) CDK4CDK6CSF1RCCNA2CDK2
SCHEMBL24632917 0.82 CDK4 (0.64) CDK4CDK6CSF1RCCNA2CDK2
SCHEMBL24632916 0.82 CDK4 (0.64) CDK4CDK6CSF1RCCNA2CDK2
SCHEMBL24632690 0.81 CDK4 (0.70) CDK4CDK6CSF1RCCNA2CDK2
SCHEMBL24632773 0.81 CDK6 (0.66) CDK4CDK6CSF1RCCNA2CDK2
SCHEMBL24632790 0.81 CDK4 (0.66) CDK4CDK6CSF1RCCNA2CDK2
SCHEMBL24632788 0.81 CDK6 (0.65) CDK4CDK6CSF1RCCNA2CDK2
SCHEMBL24632914 0.80 CDK4 (0.65) CDK4CDK6CSF1RCCNA2CDK2

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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