SCHEMBL30439353

SCHEMBL30439353

CNS(=O)(=O)c1ccc2c(-c3nc(Cl)ncc3C(F)(F)F)c[nH]c2c1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 17/20 0.63
▸ CDK12 Q9NYV4 17/20 0.63
▸ CCNT1 O60563 13/20 0.63
▸ CCNE1 P24864 13/20 0.63
▸ CDK2 P24941 13/20 0.63
▸ CDK9 P50750 13/20 0.63
▸ CDK7 P50613 11/20 0.51
▸ CCNH P51946 11/20 0.51
▸ MNAT1 P51948 10/20 0.50

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
SCHEMBL25595105 1.00 CCNK (0.63) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL30261023 0.89 CCNK (0.60) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL25273499 0.89 CCNK (0.60) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL25600387 0.86 CCNK (0.62) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL30204044 0.86 CCNK (0.62) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21629046 0.81 CCNK (0.44) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL30554768 0.81 CCNK (0.44) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL25595070 0.80 CCNK (0.47) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL30957590 0.80 TDO2 (0.47) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24900493 0.80 TDO2 (0.47) 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 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
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