SCHEMBL29083578

SCHEMBL29083578

CC1COCCN1c1ccc2c(-c3nc(NC4CCC(C)(C)NC4)ncc3C(F)(F)F)c[nH]c2n1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 19/20 0.61
▸ CDK12 Q9NYV4 19/20 0.61
▸ CCNE1 P24864 15/20 0.61
▸ CDK2 P24941 15/20 0.61
▸ CCNT1 O60563 14/20 0.61
▸ CDK9 P50750 14/20 0.61
▸ CDK7 P50613 13/20 0.61
▸ CCNH P51946 13/20 0.61
▸ MNAT1 P51948 8/20 0.59
▸ CYP2D6 P10635 1/20 0.54

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
SCHEMBL24583188 1.00 CCNK (0.61) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24584008 0.93 CCNK (0.59) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24583172 0.89 CCNK (0.65) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24583171 0.89 CCNK (0.65) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL26628944 0.88 CCNK (0.51) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24584388 0.88 CCNK (0.51) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24588975 0.87 CCNK (0.63) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24583133 0.87 CCNK (0.63) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24583148 0.87 CCNK (0.63) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL26628935 0.87 CCNK (0.47) CCNKCDK12CCNE1CDK2CCNT1

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
CN-116670123-A Aromatic heterocyclic compound, pharmaceutical composition and application thereof 湃隆生物科技有限公司(香港) 2023-08-29 — — CN disclosed
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