SCHEMBL26967531

SCHEMBL26967531

O=S(=O)(c1ccc2c(-c3nc(N[C@H]4CCCNC4)ncc3CC(F)(F)F)c[nH]c2c1)C(F)F

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 18/20 0.81
▸ CDK12 Q9NYV4 18/20 0.81
▸ CCNT1 O60563 14/20 0.81
▸ CCNE1 P24864 14/20 0.81
▸ CDK2 P24941 14/20 0.81
▸ CDK9 P50750 14/20 0.81
▸ CDK7 P50613 11/20 0.70
▸ CCNH P51946 11/20 0.70
▸ MNAT1 P51948 9/20 0.70

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
SCHEMBL27120597 0.89 CCNK (0.87) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24839828 0.83 CDK7 (0.79) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24839386 0.82 CCNK (1.00) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24839455 0.82 CDK7 (1.00) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24839462 0.80 CCNK (1.00) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL30687205 0.80 CCNK (1.00) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24839873 0.80 CCNK (1.00) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL30439768 0.80 CCNK (1.00) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24839796 0.80 CCNK (1.00) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24839788 0.79 CCNK (1.00) CCNKCDK12CCNT1CCNE1CDK2

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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