SCHEMBL25600682

SCHEMBL25600682

CCc1cnc(N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1-c1c[nH]c2c(F)c(C#N)ccc12

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 9/20 0.65
▸ CCNH P51946 9/20 0.65
▸ MNAT1 P51948 7/20 0.65
▸ CDK2 P24941 14/20 0.52
▸ CCNT1 O60563 10/20 0.52
▸ CCNK O75909 10/20 0.52
▸ CCNE1 P24864 10/20 0.52
▸ CDK9 P50750 10/20 0.52
▸ CDK12 Q9NYV4 10/20 0.52
▸ JUN P05412 4/20 0.47
▸ MAPK8 P45983 4/20 0.47
▸ MAPK9 P45984 4/20 0.47
▸ MAPK10 P53779 4/20 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
SCHEMBL30204073 1.00 CDK7 (0.65) CDK7CCNHMNAT1CDK2CCNT1
SCHEMBL25600689 1.00 CDK7 (0.65) CDK7CCNHMNAT1CDK2CCNT1
SCHEMBL25593182 0.87 CDK2 (0.63) CDK7CCNHMNAT1CDK2CCNT1
SCHEMBL30203953 0.86 CDK2 (0.49) CDK7CCNHMNAT1CDK2CCNT1
SCHEMBL25597589 0.84 CCNK (0.65) CDK7CCNHMNAT1CDK2CCNT1
SCHEMBL24588150 0.84 CCNK (0.55) CDK7CCNHMNAT1CDK2CCNT1
SCHEMBL30204470 0.82 CDK2 (0.65) CDK7CCNHMNAT1CDK2CCNT1
SCHEMBL25598690 0.82 CDK2 (0.65) CDK7CCNHMNAT1CDK2CCNT1
SCHEMBL30204055 0.82 CCNK (0.69) CDK7CCNHMNAT1CDK2CCNT1
SCHEMBL24588151 0.82 CCNK (0.63) CDK7CCNHMNAT1CDK2CCNT1

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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