SCHEMBL25583393

SCHEMBL25583393

COC(=O)Nc1ccc2c(-c3nc(NCCCCN(C)C)ncc3C(F)(F)F)c[nH]c2c1C(F)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 1/20 0.40
▸ CDK7 P50613 9/20 0.36
▸ CCNH P51946 9/20 0.36
▸ CCNK O75909 15/20 0.36
▸ CDK12 Q9NYV4 15/20 0.36
▸ CCNE1 P24864 13/20 0.36
▸ CDK2 P24941 13/20 0.36
▸ CCNT1 O60563 11/20 0.36
▸ CDK9 P50750 11/20 0.36
▸ MNAT1 P51948 8/20 0.36

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
SCHEMBL25581354 0.95 LCK (0.41) LCKCDK7CCNHCCNKCDK12
SCHEMBL25581463 0.94 LCK (0.40) LCKCDK7CCNHCCNKCDK12
SCHEMBL25581351 0.93 LCK (0.39) LCKCDK7CCNHCCNKCDK12
SCHEMBL25581350 0.91 CCNK (0.39) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL25581443 0.90 LCK (0.41) LCKCDK7CCNHCCNKCDK12
SCHEMBL25581286 0.89 LCK (0.47) LCKCDK7CCNHCCNKCDK12
SCHEMBL25580806 0.86 JAK1 (0.45) LCKCDK7CCNHCCNKCDK12
SCHEMBL25580809 0.84 JAK1 (0.46) LCKCDK7CCNHCCNKCDK12
SCHEMBL25581348 0.83 CCNK (0.39) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL25581352 0.83 CCNE1 (0.41) CDK7CCNHCCNKCDK12CCNE1

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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