SCHEMBL24632741

SCHEMBL24632741

CC(C)N1CCSc2c(F)cc(-c3nc(Nc4ccc(CN5CCN(C)CC5)cn4)ncc3F)cc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK6 Q00534 18/20 0.65
▸ CDK4 P11802 10/20 0.65
▸ CDK2 P24941 4/20 0.65
▸ CCNA2 P20248 4/20 0.65
▸ CSF1R P07333 1/20 0.65
▸ CCND3 P30281 9/20 0.59
▸ CCNE2 O96020 3/20 0.59
▸ CDK1 P06493 6/20 0.58
▸ CCND1 P24385 4/20 0.57
▸ DYRK2 Q92630 3/20 0.57
▸ CIT O14578 1/20 0.57
▸ GAK O14976 1/20 0.57
▸ DYRK3 O43781 1/20 0.57
▸ CCNT1 O60563 1/20 0.57
▸ STK16 O75716 1/20 0.57
▸ CCNK O75909 1/20 0.57
▸ STK10 O94804 1/20 0.57
▸ PRKD3 O94806 1/20 0.57
▸ ABCB11 O95342 1/20 0.57
▸ MAP4K4 O95819 1/20 0.57

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
SCHEMBL24632928 0.94 CDK6 (0.74) CDK6CDK4CDK2CCNA2CSF1R
SCHEMBL24632920 0.87 CDK6 (0.65) CDK6CDK4CDK2CCNA2CSF1R
SCHEMBL24632528 0.87 CDK6 (0.66) CDK6CDK4CDK2CCNA2CSF1R
SCHEMBL24632716 0.86 CDK6 (0.65) CDK6CDK4CDK2CCNA2CSF1R
SCHEMBL24632771 0.85 CDK6 (0.57) CDK6CDK4CDK2CCNA2CSF1R
SCHEMBL21245815 0.85 CDK4 (0.88) CDK6CDK4CDK2CCNA2CSF1R
SCHEMBL24632802 0.84 CDK6 (0.62) CDK6CDK4CDK2CCNA2CSF1R
SCHEMBL24632744 0.83 CDK6 (0.74) CDK6CDK4CDK2CCNA2CSF1R
SCHEMBL29939122 0.83 CDK6 (0.74) CDK6CDK4CDK2CCNA2CSF1R
SCHEMBL24632676 0.83 CDK6 (0.62) CDK6CDK4CDK2CCNA2CSF1R

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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