SCHEMBL29698983

SCHEMBL29698983

CC(C)(CO)Nc1ncc(C(F)(F)F)c(-c2c[nH]c3ccccc23)n1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 16/20 0.57
▸ CCNH P51946 16/20 0.57
▸ MNAT1 P51948 14/20 0.57
▸ CCNE1 P24864 13/20 0.57
▸ CDK2 P24941 13/20 0.57
▸ CCNK O75909 12/20 0.57
▸ CDK12 Q9NYV4 12/20 0.57
▸ CCNT1 O60563 10/20 0.57
▸ CDK9 P50750 10/20 0.57

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
SCHEMBL20416024 0.83 CDK7 (0.64) CDK7CCNHMNAT1CCNE1CDK2
SCHEMBL24588978 0.81 CCNT1 (0.62) CDK7CCNHMNAT1CCNE1CDK2
SCHEMBL24839369 0.77 CDK7 (0.55) CDK7CCNHMNAT1CCNE1CDK2
SCHEMBL21026876 0.75 CDK5 (0.69) CDK7CCNHMNAT1CCNE1CDK2
SCHEMBL517413 0.75 CDK7 (0.54) CDK7CCNHMNAT1CCNE1CDK2
SCHEMBL29993829 0.75 CDK7 (0.54) CDK7CCNHMNAT1CCNE1CDK2
SCHEMBL25602821 0.73 CCNE1 (0.72) CDK7CCNHMNAT1CCNE1CDK2
SCHEMBL25329325 0.73 CDK7 (0.89) CDK7CCNHMNAT1CCNE1CDK2
SCHEMBL25329327 0.73 CDK7 (0.89) CDK7CCNHMNAT1CCNE1CDK2
SCHEMBL24839809 0.73 CDK7 (1.00) CDK7CCNHMNAT1CCNE1CDK2

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-2022134642-A1 AROMATIC HETEROCYCLIC COMPOUND, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 湃隆生物科技有限公司(香港) 2022-06-30 — — WO disclosed
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