SCHEMBL25580523

SCHEMBL25580523

CN(C1=NC(C)(C)CO1)c1cccc2c(-c3nc(N[C@H]4CCCNC4)ncc3C(F)(F)F)c[nH]c12

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 20/20 0.68
▸ CCNK O75909 20/20 0.68
▸ CDK9 P50750 20/20 0.68
▸ CDK12 Q9NYV4 20/20 0.68
▸ CCNE1 P24864 17/20 0.68
▸ CDK2 P24941 17/20 0.68
▸ CDK7 P50613 7/20 0.65
▸ CCNH P51946 7/20 0.65
▸ MNAT1 P51948 5/20 0.65

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
SCHEMBL25582628 0.87 CCNT1 (0.80) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25580525 0.86 CCNT1 (0.70) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25582065 0.86 CCNT1 (0.70) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25580528 0.81 CCNT1 (0.73) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL24839802 0.81 CCNT1 (1.00) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25594288 0.81 CCNT1 (0.64) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25594287 0.81 CCNT1 (0.64) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL24839881 0.80 CCNT1 (1.00) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL24840734 0.80 CCNT1 (1.00) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL24840743 0.80 CCNT1 (1.00) 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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