SCHEMBL25599286

SCHEMBL25599286

CSc1cnc(NC2CCCN(C(=O)OC(C)(C)C)C2)nc1-c1c[nH]c2cc(C#N)ccc12

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 13/20 0.65
▸ CCNK O75909 12/20 0.65
▸ CDK12 Q9NYV4 12/20 0.65
▸ CCNE1 P24864 8/20 0.65
▸ CCNT1 O60563 7/20 0.65
▸ CDK9 P50750 7/20 0.65
▸ CDK7 P50613 7/20 0.53
▸ CCNH P51946 7/20 0.53
▸ MNAT1 P51948 6/20 0.53
▸ JUN P05412 6/20 0.50
▸ MAPK8 P45983 6/20 0.50
▸ MAPK9 P45984 6/20 0.50
▸ MAPK10 P53779 5/20 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
SCHEMBL30204057 1.00 CDK2 (0.65) CDK2CCNKCDK12CCNE1CCNT1
SCHEMBL25599301 1.00 CDK2 (0.65) CDK2CCNKCDK12CCNE1CCNT1
SCHEMBL26967529 0.90 CDK2 (0.70) CDK2CCNKCDK12CCNE1CCNT1
SCHEMBL30204100 0.88 CDK7 (0.67) CDK2CCNKCDK12CCNE1CCNT1
SCHEMBL25599749 0.88 CDK7 (0.67) CDK2CCNKCDK12CCNE1CCNT1
SCHEMBL28817275 0.87 CCNK (0.69) CDK2CCNKCDK12CCNE1CCNT1
SCHEMBL28817274 0.87 CCNK (0.69) CDK2CCNKCDK12CCNE1CCNT1
SCHEMBL25595034 0.81 CDK7 (0.58) CDK2CCNKCDK12CCNE1CCNT1
SCHEMBL25599132 0.81 CDK2 (0.62) CDK2CCNKCDK12CCNE1CCNT1
SCHEMBL29613421 0.80 CDK2 (0.76) CDK2CCNKCDK12CCNE1CCNT1

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
Send feedback