SCHEMBL24588157

SCHEMBL24588157

CP(C)(=O)c1cccc2c(-c3nc(N[C@@H]4CCCNC4)ncc3C(F)(F)F)c[nH]c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 19/20 1.00
▸ CDK12 Q9NYV4 19/20 1.00
▸ CCNT1 O60563 18/20 1.00
▸ CDK9 P50750 18/20 1.00
▸ CCNE1 P24864 15/20 1.00
▸ CDK2 P24941 15/20 1.00
▸ CDK7 P50613 8/20 1.00
▸ CCNH P51946 8/20 1.00
▸ MNAT1 P51948 6/20 0.82

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
SCHEMBL25599168 1.00 CCNK (1.00) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL22115127 1.00 CCNK (1.00) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24145818 0.92 CCNT1 (0.85) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24588204 0.92 CCNK (0.84) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30685928 0.92 CCNK (0.84) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24839381 0.91 CCNT1 (1.00) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24840737 0.90 CDK7 (1.00) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24839802 0.89 CCNT1 (1.00) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL29498413 0.87 CCNK (0.77) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL29498461 0.86 CCNK (0.76) 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-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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