SCHEMBL25598690

SCHEMBL25598690

CCc1cnc(N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1-c1c[nH]c2c(S(C)(=O)=O)cccc12

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 12/20 0.65
▸ CCNK O75909 9/20 0.65
▸ CDK12 Q9NYV4 9/20 0.65
▸ CCNT1 O60563 8/20 0.65
▸ CCNE1 P24864 8/20 0.65
▸ CDK9 P50750 8/20 0.65
▸ CDK7 P50613 10/20 0.58
▸ CCNH P51946 10/20 0.58
▸ MNAT1 P51948 8/20 0.58
▸ MAPK8 P45983 5/20 0.52
▸ MAPK9 P45984 5/20 0.52
▸ MAPK10 P53779 5/20 0.52
▸ JUN P05412 4/20 0.52

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
SCHEMBL30204470 1.00 CDK2 (0.65) CDK2CCNKCDK12CCNT1CCNE1
SCHEMBL25593182 0.90 CDK2 (0.63) CDK2CCNKCDK12CCNT1CCNE1
SCHEMBL27128063 0.85 CDK7 (0.65) CDK2CCNKCDK12CCNT1CCNE1
SCHEMBL26967460 0.85 CDK7 (0.65) CDK2CCNKCDK12CCNT1CCNE1
SCHEMBL25600682 0.82 CDK7 (0.65) CDK2CCNKCDK12CCNT1CCNE1
SCHEMBL30204073 0.82 CDK7 (0.65) CDK2CCNKCDK12CCNT1CCNE1
SCHEMBL29492498 0.82 CCNK (0.57) CDK2CCNKCDK12CCNT1CCNE1
SCHEMBL25600689 0.82 CDK7 (0.65) CDK2CCNKCDK12CCNT1CCNE1
SCHEMBL30204515 0.81 CDK2 (0.49) CDK2CCNKCDK12CCNT1CCNE1
SCHEMBL25598586 0.81 CDK2 (0.49) CDK2CCNKCDK12CCNT1CCNE1

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-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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