SCHEMBL21653359

SCHEMBL21653359

CN(C)c1cnc(C#N)s1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ FFAR2 O15552 1/20 0.31
▸ KDR P35968 2/20 0.31
▸ ROCK2 O75116 1/20 0.30
▸ ROCK1 Q13464 1/20 0.30
▸ CDC42BPA Q5VT25 1/20 0.30
▸ CDC42BPB Q9Y5S2 1/20 0.30

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
SCHEMBL131761 0.71 — —
SCHEMBL25370263 0.67 — —
SCHEMBL6348870 0.67 — —
SCHEMBL25165740 0.67 — —
SCHEMBL15573571 0.67 — —
SCHEMBL15287422 0.67 — —
SCHEMBL129913 0.67 — —
SCHEMBL2628926 0.67 FDPS (0.45) CCNE1CDK2CDK5
SCHEMBL15574568 0.67 — —
SCHEMBL22680069 0.64 FFAR2 (0.35) CCNE1CDK2CDK5FFAR2

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-2020023657-A1 PYRIDIN-2-ONE COMPOUNDS USEFUL AS SMARCA2 ANTAGONISTS Epizyme, Inc. (US) 2020-01-30 — — WO disclosed
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