SCHEMBL22997658

SCHEMBL22997658

C[S+]([O-])N1CCC(Nc2ncc(C(F)(F)F)c(-c3cn(CC(C)(C)O)cn3)n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 16/20 0.53
▸ CDK2 P24941 16/20 0.53
▸ CDK1 P06493 11/20 0.53
▸ CCNB1 P14635 11/20 0.53
▸ CDK4 P11802 10/20 0.53
▸ CCND1 P24385 10/20 0.53
▸ CCND3 P30281 10/20 0.53
▸ CDK6 Q00534 10/20 0.53
▸ CCNT1 O60563 7/20 0.52
▸ CDK9 P50750 7/20 0.52
▸ CDK7 P50613 7/20 0.52
▸ CCNH P51946 7/20 0.52
▸ MNAT1 P51948 7/20 0.52
▸ CCNK O75909 3/20 0.41
▸ CDK12 Q9NYV4 3/20 0.41
▸ CHEK1 O14757 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.37

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
SCHEMBL23001279 0.92 CCNE1 (0.51) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22997805 0.85 CDK2 (0.53) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22977343 0.84 CCNE1 (0.73) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22976958 0.84 CCNE1 (0.63) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22997882 0.84 CCNE1 (0.53) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL23001276 0.84 CCNE1 (0.53) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22976940 0.84 CCNE1 (0.73) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22977223 0.79 CCNE1 (0.56) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL29820748 0.79 CCNE1 (0.56) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL26268920 0.78 CCNE1 (0.46) 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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