SCHEMBL22997728

SCHEMBL22997728

CSN1CCC(Nc2ncc(C(F)(F)F)c(-c3ncn(C)c3C#N)n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 16/20 0.56
▸ CDK2 P24941 16/20 0.56
▸ CDK7 P50613 7/20 0.43
▸ CCNH P51946 7/20 0.43
▸ MNAT1 P51948 7/20 0.43
▸ CDK1 P06493 11/20 0.42
▸ CCNB1 P14635 11/20 0.42
▸ CDK4 P11802 10/20 0.42
▸ CCND1 P24385 10/20 0.42
▸ CCND3 P30281 10/20 0.42
▸ CDK6 Q00534 10/20 0.42
▸ CCNT1 O60563 6/20 0.41
▸ CDK9 P50750 6/20 0.41
▸ ULK1 O75385 1/20 0.40
▸ CCNK O75909 2/20 0.39
▸ CDK12 Q9NYV4 2/20 0.39

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
SCHEMBL22997742 0.87 CDK2 (0.72) CCNE1CDK2CDK7CCNHMNAT1
SCHEMBL22997746 0.86 CCNE1 (0.58) CCNE1CDK2CDK7CCNHMNAT1
SCHEMBL23001263 0.86 CDK2 (0.58) CCNE1CDK2CDK7CCNHMNAT1
SCHEMBL22977212 0.85 CCNE1 (0.78) CCNE1CDK2CDK7CCNHMNAT1
SCHEMBL22997720 0.79 CCNE1 (0.55) CCNE1CDK2CDK7CCNHMNAT1
SCHEMBL22997726 0.79 CDK2 (0.74) CCNE1CDK2CDK7CCNHMNAT1
SCHEMBL22997662 0.78 CCNE1 (0.48) CCNE1CDK2CDK7CCNHMNAT1
SCHEMBL22997623 0.77 CDK2 (0.53) CCNE1CDK2CDK7CCNHMNAT1
SCHEMBL26268744 0.77 CCNE1 (0.49) CCNE1CDK2CDK7CCNHMNAT1
SCHEMBL23001264 0.76 ULK1 (0.49) CCNE1CDK2CDK7CCNHMNAT1

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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