SCHEMBL25581303

SCHEMBL25581303

COC(=O)Nc1cccc2c(-c3nc(N[C@@H]4CNCc5ccccc54)ncc3C(F)(F)F)c[nH]c12

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 16/20 0.69
▸ CDK2 P24941 16/20 0.69
▸ CDK7 P50613 11/20 0.69
▸ CCNH P51946 11/20 0.69
▸ MNAT1 P51948 9/20 0.69
▸ CCNK O75909 15/20 0.51
▸ CDK12 Q9NYV4 15/20 0.51
▸ CCNT1 O60563 14/20 0.51
▸ CDK9 P50750 14/20 0.51

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
SCHEMBL24839814 0.82 CDK7 (1.00) CCNE1CDK2CDK7CCNHMNAT1
SCHEMBL25604070 0.82 CDK7 (1.00) CCNE1CDK2CDK7CCNHMNAT1
SCHEMBL24839809 0.82 CDK7 (1.00) CCNE1CDK2CDK7CCNHMNAT1
SCHEMBL25580840 0.82 CCNT1 (0.60) CCNE1CDK2CDK7CCNHMNAT1
SCHEMBL25580517 0.81 CCNT1 (0.74) CCNE1CDK2CDK7CCNHMNAT1
SCHEMBL25580824 0.80 CDK7 (0.51) CCNE1CDK2CDK7CCNHMNAT1
SCHEMBL25581304 0.79 CCNT1 (0.55) CCNE1CDK2CDK7CCNHMNAT1
SCHEMBL25581055 0.78 CCNT1 (0.53) CCNE1CDK2CDK7CCNHMNAT1
SCHEMBL25580835 0.78 CCNT1 (0.53) CCNE1CDK2CDK7CCNHMNAT1
SCHEMBL25581054 0.78 CCNT1 (0.57) CCNE1CDK2CDK7CCNHMNAT1

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
WO-2023078451-A1 COMPOUND USED AS CDK7 KINASE INHIBITOR AND USE THEREOF 浙江同源康医药股份有限公司 2023-05-11 — — WO disclosed
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