SCHEMBL22997643

SCHEMBL22997643

CNCc1ccc(-n2cnc(-c3nc(NC4CCN([S+](C)[O-])CC4)ncc3C(F)(F)F)c2)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 19/20 0.57
▸ CDK2 P24941 19/20 0.57
▸ CDK1 P06493 13/20 0.57
▸ CCNB1 P14635 13/20 0.57
▸ CDK4 P11802 12/20 0.57
▸ CCND1 P24385 12/20 0.57
▸ CCND3 P30281 12/20 0.57
▸ CDK6 Q00534 12/20 0.57
▸ CCNT1 O60563 9/20 0.57
▸ CDK9 P50750 9/20 0.57
▸ CDK7 P50613 7/20 0.57
▸ CCNH P51946 7/20 0.57
▸ MNAT1 P51948 7/20 0.57
▸ CCNK O75909 3/20 0.35
▸ CDK12 Q9NYV4 3/20 0.35

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
SCHEMBL22997763 0.92 CCNE1 (0.48) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22977307 0.87 CCNE1 (0.76) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22997902 0.85 CCNE1 (0.43) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22997843 0.85 CCNE1 (0.42) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL23001267 0.83 CCNE1 (0.45) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL23001277 0.83 CCNE1 (0.44) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22997717 0.82 CCNE1 (0.41) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22997721 0.81 CCNE1 (0.52) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22997723 0.81 CCNE1 (0.42) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22997705 0.81 CCNE1 (0.43) CCNE1CDK2CDK1CCNB1CDK4

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-2021030537-A1 IMIDAZOLYL PYRIMIDINYLAMINE COMPOUNDS AS CDK2 INHIBITORS INCYTE CORPORATION (US) 2021-02-18 — — WO disclosed
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