SCHEMBL25218331

SCHEMBL25218331

Cn1cc(-c2ccc3c(-c4nc(N[C@H]5CCCN(C(=O)O)C5)ncc4C(F)(F)F)c[nH]c3c2)cc1C#N

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 19/20 0.74
▸ CDK12 Q9NYV4 19/20 0.74
▸ CCNE1 P24864 15/20 0.74
▸ CDK2 P24941 15/20 0.74
▸ CCNT1 O60563 14/20 0.74
▸ CDK9 P50750 14/20 0.74
▸ CDK7 P50613 8/20 0.57
▸ CCNH P51946 8/20 0.57
▸ MNAT1 P51948 7/20 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
SCHEMBL25596486 0.92 CCNK (0.70) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL30204050 0.92 CCNK (0.70) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25221977 0.88 CCNK (0.57) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24839820 0.85 CCNK (1.00) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL26967469 0.85 CCNK (0.74) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL28817259 0.84 CCNK (0.72) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL28817263 0.84 CCNK (0.72) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL26967516 0.82 CCNK (0.72) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21179130 0.82 CCNK (0.57) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL26967518 0.82 CCNK (0.61) 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 2 patents. 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
EP-3484871-B1 PIPERIDINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2023-06-07 — — EP disclosed
Send feedback