SCHEMBL24588151

SCHEMBL24588151

CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ncc(C(F)(F)F)c(-c3c[nH]c4c(P(C)(C)=O)c(C#N)ccc34)n2)C1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 17/20 0.63
▸ CDK12 Q9NYV4 17/20 0.63
▸ CCNT1 O60563 15/20 0.63
▸ CCNE1 P24864 15/20 0.63
▸ CDK2 P24941 15/20 0.63
▸ CDK9 P50750 15/20 0.63
▸ CDK7 P50613 11/20 0.63
▸ CCNH P51946 11/20 0.63
▸ MNAT1 P51948 7/20 0.63
▸ CYP2D6 P10635 1/20 0.63

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
SCHEMBL28817272 0.98 CCNK (0.63) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL28817273 0.98 CCNK (0.63) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL25597589 0.92 CCNK (0.65) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL25594622 0.90 CCNK (0.52) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24588150 0.90 CCNK (0.55) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL28817285 0.90 CCNK (0.66) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL28817289 0.90 CCNK (0.66) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL25594677 0.89 CCNK (0.49) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL30204055 0.89 CCNK (0.69) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL25594623 0.88 CCNK (0.48) CCNKCDK12CCNT1CCNE1CDK2

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-2022134642-A1 AROMATIC HETEROCYCLIC COMPOUND, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 湃隆生物科技有限公司(香港) 2022-06-30 — — WO disclosed
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