SCHEMBL29698989

SCHEMBL29698989

CP(C)(=O)c1cccc2c(-c3nc(NCC4CC(O)C4)ncc3C(F)(F)F)c[nH]c12

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 15/20 0.62
▸ CCNK O75909 15/20 0.62
▸ CDK9 P50750 15/20 0.62
▸ CDK12 Q9NYV4 15/20 0.62
▸ CCNE1 P24864 14/20 0.62
▸ CDK2 P24941 14/20 0.62
▸ CDK7 P50613 9/20 0.62
▸ CCNH P51946 9/20 0.62
▸ MNAT1 P51948 6/20 0.52

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
SCHEMBL26627044 1.00 CCNT1 (0.62) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL24588116 0.92 CCNT1 (0.68) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL26627100 0.89 CCNT1 (0.60) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL24588819 0.89 CCNT1 (0.60) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL24588113 0.88 CCNT1 (0.61) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL24588208 0.88 CCNT1 (0.61) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL29699087 0.88 CCNT1 (0.61) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL24588782 0.88 CCNT1 (0.61) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL26627084 0.88 CCNT1 (0.61) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL24588842 0.85 CCNT1 (0.73) 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
Send feedback