SCHEMBL24632774

SCHEMBL24632774

CC(C)N1C(=O)CSc2c(F)cc(-c3nc(Nc4ccc(C5CCN(C)CC5)nn4)ncc3F)cc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK6 Q00534 20/20 0.65
▸ CDK4 P11802 17/20 0.65
▸ CCND1 P24385 2/20 0.53
▸ CDK2 P24941 9/20 0.51
▸ CCNA2 P20248 8/20 0.51
▸ CSF1R P07333 4/20 0.51
▸ CCNK O75909 3/20 0.51
▸ CDK7 P50613 3/20 0.51
▸ CDK9 P50750 3/20 0.51
▸ CCNH P51946 3/20 0.51
▸ CDK5 Q00535 3/20 0.51
▸ CDK5R1 Q15078 3/20 0.51
▸ CCND3 P30281 3/20 0.47
▸ PIK3CD O00329 1/20 0.46
▸ CCNE2 O96020 2/20 0.45
▸ CDK1 P06493 1/20 0.45
▸ PIM1 P11309 1/20 0.45
▸ CCNE1 P24864 1/20 0.45
▸ JAK3 P52333 1/20 0.45
▸ MAP3K14 Q99558 1/20 0.45

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
SCHEMBL24632914 0.89 CDK4 (0.65) CDK6CDK4CDK2CCNA2CSF1R
SCHEMBL24632783 0.89 CDK6 (0.65) CDK6CDK4CCND1CDK2CCNA2
SCHEMBL24632529 0.86 CDK6 (0.65) CDK6CDK4CCND1CDK2CCNA2
SCHEMBL24632743 0.85 CDK6 (0.74) CDK6CDK4CCND1CDK2CCNA2
SCHEMBL24632893 0.83 CDK6 (0.62) CDK6CDK4CCND1CDK2CCNA2
SCHEMBL24632771 0.81 CDK6 (0.57) CDK6CDK4CCND1CDK2CCNA2
SCHEMBL24632679 0.81 CDK6 (0.70) CDK6CDK4CCND1CDK2CCNA2
SCHEMBL24632919 0.81 CDK6 (0.74) CDK6CDK4CCND1CDK2CCNA2
SCHEMBL24632530 0.80 CDK6 (0.75) CDK6CDK4CCND1CDK2CCNA2
SCHEMBL24632779 0.79 CDK6 (0.63) CDK6CDK4CCND1CDK2CCNA2

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
Send feedback