SCHEMBL30260790

SCHEMBL30260790

N#Cc1cccc2c(-c3nc(N[C@@H]4CCC[C@H](N)C4)ncc3C(F)(F)F)c[nH]c12

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 19/20 0.75
▸ CCNK O75909 19/20 0.75
▸ CDK9 P50750 19/20 0.75
▸ CDK12 Q9NYV4 19/20 0.75
▸ CCNE1 P24864 16/20 0.75
▸ CDK2 P24941 16/20 0.75
▸ CDK7 P50613 8/20 0.57
▸ CCNH P51946 8/20 0.57
▸ MNAT1 P51948 5/20 0.57

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
SCHEMBL29492549 0.89 CCNK (0.63) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL29498455 0.87 CCNT1 (0.74) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL29492556 0.87 CCNT1 (0.74) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL24839829 0.86 CCNK (1.00) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL29492506 0.85 CCNK (0.71) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL24588867 0.85 CCNK (0.71) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL24588868 0.85 CCNK (0.71) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL30260995 0.85 CCNT1 (0.95) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25593807 0.85 CCNK (0.58) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL29498461 0.84 CCNK (0.76) 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-2023040998-A1 A CYCLIN-DEPENDENT KINASE INHIBITOR Taizhou Eoc Pharma Co., Ltd. (CN) 2023-03-23 — — WO disclosed
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