SCHEMBL29083558

SCHEMBL29083558

O=C(O)N1CCCC(Nc2ncc(C(F)(F)F)c(-c3c[nH]c4nc(Cl)ccc34)n2)C1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNK O75909 17/20 0.55
CDK12 Q9NYV4 16/20 0.55
CDK2 P24941 15/20 0.55
CCNE1 P24864 12/20 0.55
CCNT1 O60563 11/20 0.55
CDK9 P50750 11/20 0.55
CDK7 P50613 7/20 0.54
CCNH P51946 7/20 0.54
MNAT1 P51948 7/20 0.54
CCNA2 P20248 1/20 0.50
CDK13 Q14004 1/20 0.50
JUN P05412 2/20 0.49
MAPK8 P45983 2/20 0.49
MAPK9 P45984 2/20 0.49
MAPK10 P53779 2/20 0.49

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
SCHEMBL29083556 1.00 CCNK (0.55) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL21179237 0.89 CCNK (0.53) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL21178818 0.88 CCNK (0.57) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL21178630 0.86 CCNK (0.53) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL27203215 0.86 CCNK (0.52) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL29083563 0.86 CCNK (0.52) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL25225790 0.84 CCNK (0.67) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL29498437 0.84 CCNK (0.57) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL21178308 0.84 CCNK (0.71) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL21178869 0.84 CCNK (0.56) CCNKCDK12CDK2CCNE1CCNT1

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