SCHEMBL30957488

SCHEMBL30957488

Fc1cccc2c(-c3nc(Cl)ncc3C(F)(F)F)c[nH]c12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 16/20 0.48
CCNK O75909 16/20 0.48
CDK9 P50750 16/20 0.48
CDK12 Q9NYV4 16/20 0.48
CCNE1 P24864 13/20 0.48
CDK2 P24941 13/20 0.48
CDK7 P50613 6/20 0.44
CCNH P51946 6/20 0.44
MNAT1 P51948 4/20 0.44
RPS6KA5 O75582 1/20 0.43
AR P10275 2/20 0.40
CLK1 P49759 1/20 0.40

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
SCHEMBL24900464 1.00 CCNT1 (0.48) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL30456841 0.89 CCNT1 (0.59) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL17696390 0.87 CCNT1 (0.57) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL29492558 0.87 CCNT1 (0.57) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL30221492 0.87 CCNT1 (0.57) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL30957452 0.86 RPS6KA5 (0.48) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL24900631 0.86 RPS6KA5 (0.48) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL30260990 0.85 AR (0.43) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL29492561 0.85 CCNT1 (0.46) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL24900548 0.85 RPS6KA5 (0.60) 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
CN-118159533-A Heterocyclic compounds and their use 艾森医药有限公司 2024-06-07 CN disclosed