SCHEMBL24588975

SCHEMBL24588975

C[C@H]1COCCN1c1ccc2c(-c3nc(N[C@@H]4CCCNC4)ncc3C(F)(F)F)c[nH]c2n1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 20/20 0.63
▸ CDK12 Q9NYV4 20/20 0.63
▸ CCNT1 O60563 16/20 0.63
▸ CDK9 P50750 16/20 0.63
▸ CCNE1 P24864 15/20 0.63
▸ CDK2 P24941 15/20 0.63
▸ CDK7 P50613 11/20 0.61
▸ CCNH P51946 11/20 0.61
▸ MNAT1 P51948 7/20 0.60

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
SCHEMBL24583133 1.00 CCNK (0.63) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24583148 1.00 CCNK (0.63) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24584132 0.91 CCNK (0.63) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24584195 0.91 CCNK (0.60) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL26628944 0.89 CCNK (0.51) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24584388 0.89 CCNK (0.51) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24584175 0.89 CCNK (0.49) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24583279 0.89 CCNK (0.49) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30549120 0.89 CCNK (0.49) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30549109 0.89 CCNK (0.49) 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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