SCHEMBL25598586

SCHEMBL25598586

CCc1cnc(N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1-c1c[nH]c2ncc(F)cc12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 12/20 0.49
▸ MAPK8 P45983 7/20 0.49
▸ MAPK9 P45984 7/20 0.49
▸ MAPK10 P53779 6/20 0.49
▸ JUN P05412 6/20 0.49
▸ CCNK O75909 8/20 0.48
▸ CDK12 Q9NYV4 8/20 0.48
▸ CCNT1 O60563 7/20 0.48
▸ CCNE1 P24864 7/20 0.48
▸ CDK9 P50750 7/20 0.48
▸ CDK7 P50613 5/20 0.42
▸ CCNH P51946 5/20 0.42
▸ MNAT1 P51948 5/20 0.42

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
SCHEMBL30204515 1.00 CDK2 (0.49) CDK2MAPK8MAPK9MAPK10JUN
SCHEMBL30204026 0.87 GSK3A (0.45) —
SCHEMBL25596688 0.87 GSK3A (0.45) —
SCHEMBL25593182 0.85 CDK2 (0.63) CDK2MAPK8MAPK9MAPK10JUN
SCHEMBL30203953 0.83 CDK2 (0.49) CDK2MAPK8MAPK9MAPK10JUN
SCHEMBL30204073 0.82 CDK7 (0.65) CDK2MAPK8MAPK9MAPK10JUN
SCHEMBL25600682 0.82 CDK7 (0.65) CDK2MAPK8MAPK9MAPK10JUN
SCHEMBL25600689 0.82 CDK7 (0.65) CDK2MAPK8MAPK9MAPK10JUN
SCHEMBL26967460 0.82 CDK7 (0.65) CDK2MAPK8MAPK9MAPK10JUN
SCHEMBL27128063 0.82 CDK7 (0.65) CDK2MAPK8MAPK9MAPK10JUN

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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