SCHEMBL30260993

SCHEMBL30260993

COc1ccc2c(-c3nc(N[C@H]4CCCCNC4)ncc3C(F)(F)F)c[nH]c2c1P(C)(C)=O

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 18/20 0.70
▸ CDK12 Q9NYV4 18/20 0.70
▸ CCNT1 O60563 16/20 0.70
▸ CDK9 P50750 16/20 0.70
▸ CCNE1 P24864 14/20 0.70
▸ CDK2 P24941 14/20 0.70
▸ CDK7 P50613 9/20 0.70
▸ CCNH P51946 9/20 0.70
▸ MNAT1 P51948 6/20 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
SCHEMBL30261019 0.88 CCNT1 (0.68) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30260850 0.88 CCNT1 (0.69) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL28817252 0.87 CCNK (0.77) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL28817251 0.87 CCNK (0.77) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30006623 0.87 CCNK (0.77) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30260922 0.86 CCNT1 (0.76) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25591388 0.85 CCNK (0.68) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24588249 0.85 CCNK (0.80) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25591389 0.84 CCNK (0.70) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25582726 0.84 CCNT1 (0.80) CCNKCDK12CCNT1CDK9CCNE1

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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