SCHEMBL30957556

SCHEMBL30957556

COc1cnc(Cl)nc1-c1c[nH]c2c(F)cccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 3/20 0.43
CCNK O75909 3/20 0.43
CCNE1 P24864 3/20 0.43
CDK2 P24941 3/20 0.43
CDK9 P50750 3/20 0.43
CDK12 Q9NYV4 3/20 0.43
CDK7 P50613 3/20 0.43
CCNH P51946 3/20 0.43
MNAT1 P51948 3/20 0.43
RPS6KA5 O75582 2/20 0.43
DYRK1A Q13627 2/20 0.42
NFATC1 O95644 1/20 0.42
GSK3B P49841 1/20 0.42
AR P10275 4/20 0.39
NR3C1 P04150 3/20 0.38
PGR P06401 2/20 0.38
NR3C2 P08235 2/20 0.38
CLK1 P49759 3/20 0.38
GPR84 Q9NQS5 1/20 0.37
EGFR P00533 1/20 0.36

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
SCHEMBL24900454 1.00 CCNT1 (0.43) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL24900358 0.89 DYRK1A (0.53) CDK7CCNHMNAT1RPS6KA5DYRK1A
SCHEMBL30957550 0.89 DYRK1A (0.53) CDK7CCNHMNAT1RPS6KA5DYRK1A
SCHEMBL30957500 0.87 AR (0.47) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL24900366 0.87 AR (0.47) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL24900752 0.86 DYRK1A (0.50) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL30957452 0.85 RPS6KA5 (0.48) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL24900631 0.85 RPS6KA5 (0.48) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL24900548 0.84 RPS6KA5 (0.60) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL24900727 0.81 RPS6KA5 (0.56) CCNT1CCNKCCNE1CDK2CDK9

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