SCHEMBL8554786

SCHEMBL8554786

Nc1nc(-c2ccc(F)cc2)c(C2CCNC2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.47
DRD4 P21917 1/20 0.47
MAPK11 Q15759 5/20 0.43
MAPK14 Q16539 5/20 0.43
MAPK13 O15264 3/20 0.43
MAPK9 P45984 3/20 0.43
MAPK12 P53778 3/20 0.43
RAF1 P04049 2/20 0.43
MYC P01106 1/20 0.42
WDR5 P61964 1/20 0.42
MPO P05164 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
HTR2C P28335 3/20 0.38
HTR2B P41595 3/20 0.38
KCNH2 Q12809 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
RIPK2 O43353 1/20 0.38
DYRK3 O43781 1/20 0.38
PRKD3 O94806 1/20 0.38

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
Bromide SCHEMBL8556262 0.99 HTR2A (0.47) HTR2ADRD4MAPK11MAPK14MAPK13
SCHEMBL3727707 0.84 PTGS2 (0.43) MAPK11MAPK14MAPK13MAPK9MAPK12
SCHEMBL13041312 0.73 GABRA1 (0.43) HTR2AHTR2CHTR2BKCNH2MAPK1
SCHEMBL23791834 0.70 MYC (0.49) HTR2ADRD4MYCWDR5MAPK1
SCHEMBL31311317 0.70 MPL (0.46) HTR2ADRD4MYCWDR5MAPK1
SCHEMBL8552184 0.69 DRD4 (0.61) HTR2ADRD4MAPK14
SCHEMBL29272745 0.68 MYC (0.57) MYCWDR5MAPK1
SCHEMBL8069327 0.67 MAPT (0.68) MYCWDR5MAPK1
SCHEMBL31311217 0.67 MPL (0.46) HTR2ADRD4
SCHEMBL8556407 0.67 DRD4 (0.59) HTR2ADRD4MAPK14MAPK1

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-0816362-A1 THIAZOLE DERIVATIVES TAISHO PHARMACEUTICAL CO. LTD (JP) 1998-01-07 EP disclosed