SCHEMBL25585135

SCHEMBL25585135

CCOC(=O)Nc1cccc2c(-c3nc(N[C@H]4CCCNC4)ncc3C(F)(F)F)c[nH]c12

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 19/20 0.73
▸ CCNK O75909 19/20 0.73
▸ CDK9 P50750 19/20 0.73
▸ CDK12 Q9NYV4 19/20 0.73
▸ CCNE1 P24864 16/20 0.73
▸ CDK2 P24941 16/20 0.73
▸ CDK7 P50613 6/20 0.72
▸ CCNH P51946 6/20 0.72
▸ MNAT1 P51948 4/20 0.72

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
SCHEMBL25581197 0.94 CCNT1 (0.69) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25580517 0.93 CCNT1 (0.74) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25581947 0.92 CCNT1 (0.70) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25591588 0.91 CDK7 (0.64) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25596340 0.91 CDK7 (0.64) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25581196 0.91 CCNT1 (0.66) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25594915 0.90 CDK7 (0.63) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25594909 0.90 CDK7 (0.63) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25581200 0.88 CCNT1 (0.68) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25596448 0.85 CCNT1 (0.68) 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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