SCHEMBL25580824

SCHEMBL25580824

COC(=O)Nc1cccc2c(-c3nc(NCC4CNC4)ncc3C(F)(F)F)c[nH]c12

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 8/20 0.51
▸ CCNH P51946 8/20 0.51
▸ MNAT1 P51948 6/20 0.51
▸ CCNK O75909 17/20 0.50
▸ CDK12 Q9NYV4 17/20 0.50
▸ CCNE1 P24864 16/20 0.50
▸ CDK2 P24941 16/20 0.50
▸ CCNT1 O60563 15/20 0.50
▸ CDK9 P50750 15/20 0.50

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
SCHEMBL25580835 0.94 CCNT1 (0.53) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25581055 0.94 CCNT1 (0.53) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25580832 0.92 CCNT1 (0.51) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25581444 0.90 CDK7 (0.44) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25581289 0.86 CCNT1 (0.56) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25581290 0.86 CCNT1 (0.56) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25581059 0.86 CCNT1 (0.51) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25581057 0.86 CCNT1 (0.51) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25580804 0.85 CCNE1 (0.47) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25581296 0.85 CCNK (0.47) CDK7CCNHMNAT1CCNKCDK12

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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