SCHEMBL26967491

SCHEMBL26967491

O=C(O)N1CCC[C@H](Nc2ncc(C(F)(F)F)c(-c3c[nH]c4cc(C(=O)N5CC[C@@H](O)C5)ccc34)n2)C1

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 20/20 0.80
▸ CDK12 Q9NYV4 19/20 0.80
▸ CDK2 P24941 14/20 0.69
▸ CCNE1 P24864 13/20 0.69
▸ CDK7 P50613 8/20 0.69
▸ CCNH P51946 8/20 0.69
▸ MNAT1 P51948 8/20 0.69
▸ CCNT1 O60563 10/20 0.67
▸ CDK9 P50750 10/20 0.67
▸ CCNA2 P20248 1/20 0.59
▸ CDK13 Q14004 1/20 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
SCHEMBL25267992 0.94 CCNK (0.78) CCNKCDK12CDK2CCNE1CDK7
SCHEMBL30204116 0.91 CCNK (0.74) CCNKCDK12CDK2CCNE1CDK7
SCHEMBL30203934 0.91 CCNK (0.74) CCNKCDK12CDK2CCNE1CDK7
SCHEMBL25225790 0.89 CCNK (0.67) CCNKCDK12CDK2CCNE1CDK7
SCHEMBL25258671 0.89 CCNK (0.80) CCNKCDK12CDK2CCNE1CDK7
SCHEMBL25220138 0.89 CCNK (0.79) CCNKCDK12CDK2CCNE1CDK7
SCHEMBL24839542 0.89 CCNK (1.00) CCNKCDK12CDK2CCNE1CDK7
SCHEMBL24840706 0.89 CCNK (1.00) CCNKCDK12CDK2CCNE1CDK7
SCHEMBL26967495 0.89 CCNK (0.80) CCNKCDK12CDK2CCNE1CDK7
SCHEMBL26967536 0.89 CCNK (0.80) CCNKCDK12CDK2CCNE1CDK7

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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