SCHEMBL24588779

SCHEMBL24588779

NC1CCC(Nc2ncc(C(F)(F)F)c(-c3c[nH]c4nc(N5CCOCC5)ccc34)n2)C1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCNK O75909 18/20 0.48
CDK12 Q9NYV4 18/20 0.48
CDK7 P50613 11/20 0.48
CCNH P51946 11/20 0.48
MNAT1 P51948 8/20 0.48
CCNE1 P24864 15/20 0.48
CDK2 P24941 15/20 0.48
CCNT1 O60563 14/20 0.48
CDK9 P50750 14/20 0.48

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
SCHEMBL24588268 0.88 CCNK (0.46) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL24588847 0.87 CCNK (0.49) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL24588774 0.87 CCNK (0.49) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL24583147 0.85 CCNK (0.68) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL24583149 0.85 CCNK (0.68) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL24588109 0.85 CCNK (0.59) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL24588841 0.85 CCNK (0.68) CCNKCDK12CDK7CCNHMNAT1
Formic Acid SCHEMBL30564810 0.84 CCNK (0.45) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL24588835 0.84 CCNK (0.52) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL29749396 0.83 CCNK (0.67) CCNKCDK12CDK7CCNHMNAT1

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
EP-4269403-A1 AROMATIC HETEROCYCLIC COMPOUND, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF GT Apeiron Therapeutics Limited (HK) 2023-11-01 EP 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