SCHEMBL29699107

SCHEMBL29699107

CP(C)(=O)c1cccc2c(-c3nc(NC4(CO)CC(F)C4)ncc3C(F)(F)F)c[nH]c12

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 18/20 0.62
▸ CCNK O75909 18/20 0.62
▸ CDK9 P50750 18/20 0.62
▸ CDK12 Q9NYV4 18/20 0.62
▸ CCNE1 P24864 16/20 0.62
▸ CDK2 P24941 16/20 0.62
▸ CDK7 P50613 9/20 0.62
▸ CCNH P51946 9/20 0.62
▸ MNAT1 P51948 6/20 0.52
▸ CYP2D6 P10635 1/20 0.44

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
SCHEMBL26627099 1.00 CCNT1 (0.62) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL24588794 0.93 CCNT1 (0.62) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL29699009 0.91 CCNT1 (0.63) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL29699018 0.91 CCNT1 (0.63) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL24588099 0.91 CCNT1 (0.63) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL26627151 0.91 CCNT1 (0.63) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL29699127 0.90 CCNT1 (0.60) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL24588177 0.90 CCNT1 (0.60) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL26627094 0.90 CCNT1 (0.60) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL29699033 0.89 CCNT1 (0.58) 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-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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