SCHEMBL29699112

SCHEMBL29699112

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

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 19/20 0.71
▸ CCNK O75909 19/20 0.71
▸ CDK9 P50750 19/20 0.71
▸ CDK12 Q9NYV4 19/20 0.71
▸ CCNE1 P24864 16/20 0.71
▸ CDK2 P24941 16/20 0.71
▸ CDK7 P50613 7/20 0.71
▸ CCNH P51946 7/20 0.71
▸ MNAT1 P51948 5/20 0.58

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
SCHEMBL26627123 1.00 CCNT1 (0.71) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL24588204 0.89 CCNK (0.84) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL24588250 0.88 CCNT1 (0.65) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL26627081 0.87 CCNT1 (0.65) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL24589041 0.87 CCNT1 (0.65) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL26627189 0.87 CCNT1 (0.65) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL24588097 0.87 CCNT1 (0.65) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL24588921 0.87 CCNT1 (0.65) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL24588923 0.87 CCNT1 (0.65) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL24588771 0.86 CCNT1 (0.68) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116745277-A Aromatic heterocyclic compound, pharmaceutical composition and application thereof 湃隆生物科技有限公司(香港) 2023-09-12 — — CN disclosed
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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