SCHEMBL22997745

SCHEMBL22997745

COc1ccc(-n2cnc(-c3nc(NC4CCN([S+](C)[O-])CC4)ncc3C(F)(F)F)c2)c(C#N)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 14/20 0.41
▸ CDK2 P24941 14/20 0.41
▸ CDK1 P06493 10/20 0.41
▸ CCNB1 P14635 10/20 0.41
▸ CDK4 P11802 9/20 0.41
▸ CCND1 P24385 9/20 0.41
▸ CCND3 P30281 9/20 0.41
▸ CDK6 Q00534 9/20 0.41
▸ CDK7 P50613 6/20 0.41
▸ CCNH P51946 6/20 0.41
▸ MNAT1 P51948 6/20 0.41
▸ CCNT1 O60563 5/20 0.41
▸ CDK9 P50750 5/20 0.41
▸ CCNK O75909 3/20 0.36
▸ CDK12 Q9NYV4 3/20 0.36
▸ PSEN1 P49768 1/20 0.36
▸ PSEN2 P49810 1/20 0.36
▸ APH1B Q8WW43 1/20 0.36
▸ NCSTN Q92542 1/20 0.36
▸ APH1A Q96BI3 1/20 0.36

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
SCHEMBL23001267 0.90 CCNE1 (0.45) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22997826 0.87 CCNE1 (0.41) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22977227 0.87 CCNE1 (0.56) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22997694 0.86 CCNE1 (0.42) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22997675 0.85 CCNE1 (0.39) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22997705 0.85 CCNE1 (0.43) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22997836 0.83 CCNE1 (0.41) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22997721 0.82 CCNE1 (0.52) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22997848 0.82 CDK7 (0.43) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22997741 0.82 CCNE1 (0.40) 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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