SCHEMBL22624289

SCHEMBL22624289

Cc1nc2c(n1C)-c1nc(NC3CCN([S+](C)[O-])CC3)ncc1CC2

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 20/20 0.48
▸ CCNA2 P20248 18/20 0.48
▸ CCNA1 P78396 18/20 0.48
▸ CCNE1 P24864 4/20 0.46
▸ CDK1 P06493 2/20 0.46
▸ CCNB1 P14635 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ GSK3B P49841 2/20 0.46
▸ CDK5 Q00535 2/20 0.46
▸ CDK5R1 Q15078 2/20 0.46
▸ AURKA O14965 2/20 0.45
▸ CDK4 P11802 1/20 0.42
▸ CCND1 P24385 1/20 0.42

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
SCHEMBL22624383 0.89 CDK2 (0.44) CDK2CCNA2CCNA1CCNE1CDK1
SCHEMBL22624314 0.86 CDK2 (0.45) CDK2CCNA2CCNA1CCNE1CDK1
SCHEMBL22624404 0.84 CDK2 (0.47) CDK2CCNA2CCNA1CCNE1CDK1
SCHEMBL22612617 0.83 CDK2 (0.48) CDK2CCNA2CCNA1CCNE1CDK1
SCHEMBL22624406 0.83 CDK2 (0.46) CDK2CCNA2CCNA1CCNE1CDK1
SCHEMBL22612623 0.83 CCNA2 (0.57) CDK2CCNA2CCNA1CCNE1CDK1
SCHEMBL22612650 0.83 CDK2 (0.67) CDK2CCNA2CCNA1CCNE1CDK1
SCHEMBL22624397 0.83 CDK2 (0.48) CDK2CCNA2CCNA1CCNE1CDK1
SCHEMBL22624393 0.82 CDK2 (0.48) CDK2CCNA2CCNA1CCNE1CDK1
SCHEMBL22612609 0.82 CDK2 (0.55) CDK2CCNA2CCNA1CCNE1CDK1

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-2020223469-A1 N-(1-(METHYLSULFONYL)PIPERIDIN-4-YL)-4,5-DI HYDRO-1H-IMIDAZO[4,5-H]QUINAZOLIN-8-AMINE DERIVATIVES AND RELATED COMPOUNDS AS CYCLIN-DEPENDENT KINASE 2 (CDK2) INHIBITORS FOR TREATING CANCER INCYTE CORPORATION (US) 2020-11-05 — — WO disclosed
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