SCHEMBL25599197

SCHEMBL25599197

Cc1noc([C@H]2CC[C@H](Nc3ncc(C(F)(F)F)c(-c4c[nH]c5cc(C#N)ccc45)n3)CN2C(=O)OC(C)(C)C)n1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 11/20 0.67
▸ CCNH P51946 11/20 0.67
▸ MNAT1 P51948 9/20 0.67
▸ CCNK O75909 17/20 0.57
▸ CDK12 Q9NYV4 17/20 0.57
▸ CCNT1 O60563 11/20 0.57
▸ CCNE1 P24864 11/20 0.57
▸ CDK2 P24941 11/20 0.57
▸ CDK9 P50750 11/20 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
SCHEMBL25599195 0.86 CCNK (0.62) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL28817274 0.82 CCNK (0.69) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL28817275 0.82 CCNK (0.69) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL24839760 0.81 CDK7 (1.00) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL21188504 0.77 CCNK (0.54) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL29509275 0.77 CCNK (0.54) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL24176231 0.77 CCNK (0.61) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL24176609 0.77 CCNK (0.61) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL21184581 0.76 CCNK (0.76) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL21184348 0.75 CCNK (0.85) CDK7CCNHMNAT1CCNKCDK12

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
EP-3484871-B1 PIPERIDINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2023-06-07 — — EP disclosed
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