SCHEMBL26967516

SCHEMBL26967516

O=C(O)N1CCC[C@H](Nc2ncc(C(F)(F)F)c(-c3c[nH]c4cc(-c5c[nH]c(=O)[nH]c5=O)ccc34)n2)C1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 18/20 0.72
▸ CDK12 Q9NYV4 18/20 0.72
▸ CCNE1 P24864 12/20 0.59
▸ CDK2 P24941 12/20 0.59
▸ CCNT1 O60563 11/20 0.59
▸ CDK9 P50750 11/20 0.59
▸ CDK7 P50613 8/20 0.59
▸ CCNH P51946 8/20 0.59
▸ MNAT1 P51948 8/20 0.59

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
SCHEMBL30204002 0.91 CCNK (0.67) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25602582 0.91 CCNK (0.67) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL26967518 0.87 CCNK (0.61) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL26967469 0.86 CCNK (0.74) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25225790 0.85 CCNK (0.67) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25267992 0.85 CCNK (0.78) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL26967509 0.85 CCNK (0.53) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25224398 0.84 CCNK (0.73) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21179130 0.84 CCNK (0.57) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24839671 0.84 CCNK (1.00) CCNKCDK12CCNE1CDK2CCNT1

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-4295852-A2 PIPERIDINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2023-12-27 — — EP disclosed
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