SCHEMBL25593295

SCHEMBL25593295

CC(C)(C)OC(=O)N1CCC[C@H](Nc2ncc(C(F)(F)F)c(-c3c[nH]c4c(-c5ccncc5)cccc34)n2)C1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 19/20 0.64
▸ CCNT1 O60563 18/20 0.64
▸ CDK9 P50750 18/20 0.64
▸ CDK12 Q9NYV4 18/20 0.64
▸ CDK7 P50613 6/20 0.64
▸ CCNH P51946 6/20 0.64
▸ MNAT1 P51948 4/20 0.64
▸ CDK2 P24941 16/20 0.57
▸ CCNE1 P24864 15/20 0.57
▸ CCNA2 P20248 1/20 0.49
▸ CDK13 Q14004 1/20 0.49

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
SCHEMBL25593648 0.94 CCNK (0.66) CCNKCCNT1CDK9CDK12CDK7
SCHEMBL25593333 0.91 CCNK (0.68) CCNKCCNT1CDK9CDK12CDK7
SCHEMBL25582183 0.90 CCNK (0.54) CCNKCCNT1CDK9CDK12CDK7
SCHEMBL25593261 0.90 CCNK (0.63) CCNKCCNT1CDK9CDK12CDK7
SCHEMBL29492509 0.90 CCNK (0.63) CCNKCCNT1CDK9CDK12CDK7
SCHEMBL27121866 0.90 CCNK (0.63) CCNKCCNT1CDK9CDK12CDK7
SCHEMBL24588967 0.88 CCNK (0.67) CCNKCCNT1CDK9CDK12CDK7
SCHEMBL29492498 0.88 CCNK (0.57) CCNKCCNT1CDK9CDK12CDK7
SCHEMBL30204103 0.88 CCNK (0.64) CCNKCCNT1CDK9CDK12CDK7
SCHEMBL25596425 0.88 CCNK (0.64) CCNKCCNT1CDK9CDK12CDK7

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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