SCHEMBL27935530

SCHEMBL27935530

CN(C)Cc1ccc(-c2cnc(-c3cc(Nc4cccc5c4CCN(S(C)(=O)=O)C5)ccc3CN)[nH]2)cc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.32
AURKA O14965 2/20 0.32
RPS6KA5 O75582 1/20 0.32
RPS6KA4 O75676 1/20 0.32
KIT P10721 1/20 0.32
RPS6KB1 P23443 1/20 0.32
CDK2 P24941 1/20 0.32
FLT3 P36888 1/20 0.32
RPS6KA3 P51812 1/20 0.32
RPS6KA2 Q15349 1/20 0.32
RPS6KA1 Q15418 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
RPS6KB2 Q9UBS0 1/20 0.32
RPS6KA6 Q9UK32 1/20 0.32
AURKB Q96GD4 1/20 0.31
INCENP Q9NQS7 1/20 0.31
TPX2 Q9ULW0 1/20 0.31
CCNT1 O60563 2/20 0.30
CDK9 P50750 2/20 0.30
PIK3CA P42336 2/20 0.30

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
SCHEMBL305126 0.92 TNKS (0.34) AURKAAURKBINCENPTPX2CCNT1
SCHEMBL27935533 0.89 CHEK1 (0.34) CHEK1AURKARPS6KA5RPS6KA4KIT
SCHEMBL27950054 0.88 PTGDR2 (0.33) CHEK1AURKARPS6KA5RPS6KA4KIT
SCHEMBL27935529 0.88 CCNT1 (0.39) CHEK1AURKARPS6KA5RPS6KA4KIT
SCHEMBL27950080 0.86 TNIK (0.37) PIK3CAMTOR
SCHEMBL27935539 0.82 PIK3CA (0.35) CHEK1AURKARPS6KA5RPS6KA4KIT
SCHEMBL27935531 0.80 CHEK1 (0.37) CHEK1AURKARPS6KA5RPS6KA4KIT
SCHEMBL303796 0.80 PTGDR2 (0.36)
SCHEMBL27935511 0.80 PTGDR2 (0.36) CHEK1AURKARPS6KA5RPS6KA4KIT
SCHEMBL1922092 0.79 SMO (0.42) CCNT1CDK9

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-102203067-B Hedgehog pathway modulators IRM LLC 2014-01-15 CN claimed