SCHEMBL26967500

SCHEMBL26967500

N#Cc1ccc2c(-c3nc(N[C@H]4CCCN(C(=O)O)C4)ncc3OC(F)F)c[nH]c2c1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 10/20 0.72
▸ CCNH P51946 10/20 0.72
▸ MNAT1 P51948 9/20 0.72
▸ CCNK O75909 15/20 0.57
▸ CDK12 Q9NYV4 15/20 0.57
▸ CDK2 P24941 11/20 0.57
▸ CCNE1 P24864 8/20 0.57
▸ CCNT1 O60563 7/20 0.57
▸ CDK9 P50750 7/20 0.57
▸ JUN P05412 3/20 0.47
▸ MAPK8 P45983 3/20 0.47
▸ MAPK9 P45984 3/20 0.47
▸ MAPK10 P53779 3/20 0.47

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
SCHEMBL30204100 0.90 CDK7 (0.67) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25599749 0.90 CDK7 (0.67) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL26967529 0.85 CDK2 (0.70) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL28817259 0.85 CCNK (0.72) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL28817263 0.85 CCNK (0.72) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL24839839 0.84 CDK7 (1.00) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25599286 0.78 CDK2 (0.65) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL30204057 0.78 CDK2 (0.65) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25599301 0.78 CDK2 (0.65) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL28817275 0.77 CCNK (0.69) CDK7CCNHMNAT1CCNKCDK12

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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