SCHEMBL25593182

SCHEMBL25593182

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

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 13/20 0.63
▸ CCNT1 O60563 9/20 0.63
▸ CCNK O75909 9/20 0.63
▸ CCNE1 P24864 9/20 0.63
▸ CDK9 P50750 9/20 0.63
▸ CDK12 Q9NYV4 9/20 0.63
▸ MAPK8 P45983 7/20 0.53
▸ MAPK9 P45984 7/20 0.53
▸ MAPK10 P53779 6/20 0.53
▸ JUN P05412 6/20 0.53
▸ CDK7 P50613 7/20 0.52
▸ CCNH P51946 7/20 0.52
▸ MNAT1 P51948 7/20 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
SCHEMBL25593172 0.90 CDK2 (0.50) CDK2CCNT1CCNKCCNE1CDK9
SCHEMBL30204470 0.90 CDK2 (0.65) CDK2CCNT1CCNKCCNE1CDK9
SCHEMBL25598690 0.90 CDK2 (0.65) CDK2CCNT1CCNKCCNE1CDK9
SCHEMBL25594096 0.88 CDK2 (0.49) CDK2CCNT1CCNKCCNE1CDK9
SCHEMBL25600689 0.87 CDK7 (0.65) CDK2CCNT1CCNKCCNE1CDK9
SCHEMBL25600682 0.87 CDK7 (0.65) CDK2CCNT1CCNKCCNE1CDK9
SCHEMBL30204073 0.87 CDK7 (0.65) CDK2CCNT1CCNKCCNE1CDK9
SCHEMBL30204515 0.85 CDK2 (0.49) CDK2CCNT1CCNKCCNE1CDK9
SCHEMBL25598586 0.85 CDK2 (0.49) CDK2CCNT1CCNKCCNE1CDK9
SCHEMBL29492509 0.83 CCNK (0.63) CDK2CCNT1CCNKCCNE1CDK9

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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