SCHEMBL8104403

SCHEMBL8104403

BrCCCCCCCCn1nnc(-c2ccccc2)c1-c1ccccc1.c1ccc(-c2nn[nH]c2-c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 4/20 0.37
MAP4K4 O95819 3/20 0.37
PRKACA P17612 3/20 0.37
CDK2 P24941 3/20 0.37
GSK3B P49841 3/20 0.37
CLK4 Q9HAZ1 3/20 0.37
MKNK2 Q9HBH9 3/20 0.37
PIM1 P11309 2/20 0.37
HIPK2 Q9H2X6 2/20 0.37
PLK4 O00444 2/20 0.36
MAPK13 O15264 2/20 0.36
DAPK3 O43293 2/20 0.36
ROCK2 O75116 2/20 0.36
PRKD3 O94806 2/20 0.36
PRKCG P05129 2/20 0.36
CDK1 P06493 2/20 0.36
RPS6KB1 P23443 2/20 0.36
MARK3 P27448 2/20 0.36
MAPK1 P28482 2/20 0.36
AKT1 P31749 2/20 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
SCHEMBL8103917 0.88 PTGIR (0.43) CDC7MAP4K4PRKACACDK2GSK3B
SCHEMBL453506 0.71 KDM4E (0.48) MAPK13MAPK1MAPK12MAPK9
SCHEMBL8104175 0.71 PTGIR (0.66) PTGIR
SCHEMBL8103845 0.71 PTGIR (0.66) PTGIR
SCHEMBL8113238 0.71 GLA (0.44) CDC7MAP4K4PRKACACDK2GSK3B
SCHEMBL8113839 0.69 FAAH (0.60) PTGIR
SCHEMBL5049522 0.68 SLC9A1 (0.50) SLC9A1
SCHEMBL5049432 0.68 SLC9A1 (0.50) SLC9A1
SCHEMBL9206431 0.68 PTGIR (0.69) MAPK1PTGIR
SCHEMBL9208685 0.68 PTGIR (0.69) MAPK1PTGIR

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
EP-0626969-B1 CoA-IT AND PAF INHIBITORS SMITHKLINE BEECHAM CORP (US) 2000-05-24 EP disclosed