SCHEMBL25583171

SCHEMBL25583171

CN(C)CCNc1ncc(C(F)(F)F)c(-c2c[nH]c3c(C(F)(F)F)c(NC=O)ccc23)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 18/20 0.40
▸ CCNK O75909 18/20 0.40
▸ CDK9 P50750 18/20 0.40
▸ CDK12 Q9NYV4 18/20 0.40
▸ CCNE1 P24864 17/20 0.40
▸ CDK2 P24941 17/20 0.40
▸ CDK7 P50613 8/20 0.39
▸ CCNH P51946 8/20 0.39
▸ MNAT1 P51948 4/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ PIM1 P11309 1/20 0.37
▸ PIM3 Q86V86 1/20 0.37
▸ PIM2 Q9P1W9 1/20 0.37

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
SCHEMBL25581350 0.87 CCNK (0.39) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25581351 0.82 LCK (0.39) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25581354 0.81 LCK (0.41) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25581463 0.78 LCK (0.40) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25583393 0.78 LCK (0.40) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25580809 0.78 JAK1 (0.46) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25581348 0.76 CCNK (0.39) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25581352 0.76 CCNE1 (0.41) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25581443 0.75 LCK (0.41) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25580806 0.73 JAK1 (0.45) CCNT1CCNKCDK9CDK12CCNE1

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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