SCHEMBL27140505

SCHEMBL27140505

CC1(C)CCC(Nc2ncc(C(F)(F)F)c(-c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)n2)CN1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 15/20 0.63
▸ CCNH P51946 15/20 0.63
▸ CCNK O75909 14/20 0.63
▸ CDK12 Q9NYV4 14/20 0.63
▸ CCNT1 O60563 13/20 0.63
▸ CDK9 P50750 13/20 0.63
▸ CCNE1 P24864 12/20 0.63
▸ CDK2 P24941 12/20 0.63
▸ MNAT1 P51948 12/20 0.52
▸ CYP2D6 P10635 1/20 0.50
▸ EGFR P00533 1/20 0.46

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
SCHEMBL25271440 1.00 CDK7 (0.63) CDK7CCNHCCNKCDK12CCNT1
SCHEMBL24087425 0.91 CCNK (0.56) CDK7CCNHCCNKCDK12CCNT1
SCHEMBL24087428 0.87 CCNK (0.52) CDK7CCNHCCNKCDK12CCNT1
SCHEMBL24087376 0.86 CCNK (0.51) CDK7CCNHCCNKCDK12CCNT1
SCHEMBL30439572 0.84 CCNK (0.63) CDK7CCNHCCNKCDK12CCNT1
SCHEMBL27123939 0.83 CDK7 (0.44) CDK7CCNHCCNKCDK12CCNT1
SCHEMBL26967519 0.83 CDK7 (0.44) CDK7CCNHCCNKCDK12CCNT1
SCHEMBL24584481 0.81 CDK7 (0.49) CDK7CCNHCCNKCDK12CCNT1
SCHEMBL24584483 0.81 CDK7 (0.49) CDK7CCNHCCNKCDK12CCNT1
SCHEMBL27128260 0.80 CDK7 (0.43) CDK7CCNHCCNKCDK12CCNT1

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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