SCHEMBL5233176

SCHEMBL5233176

CS(=O)(=O)c1ncc2c(n1)NC(=O)N(c1ccccc1Cl)C2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.55
MAPT P10636 7/20 0.39
TP53 P04637 6/20 0.39
LMNA P02545 5/20 0.39
TLR9 Q9NR96 5/20 0.39
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
S1PR4 O95977 2/20 0.39
XBP1 P17861 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
S1PR1 P21453 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 4/20 0.36
MITF O75030 2/20 0.36
HTT P42858 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 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
SCHEMBL6622980 0.88 MAPK14 (0.43) MAPK14MAPTTP53LMNATLR9
SCHEMBL5232944 0.84 MAPK14 (0.51) MAPK14MAPTTP53TLR9MEN1
SCHEMBL5230273 0.80 MAPK14 (0.56) MAPK14MAPTTP53LMNAALDH1A1
SCHEMBL6623008 0.80 FGFR4 (0.43) MAPK14MAPTTP53LMNATLR9
SCHEMBL5228614 0.78 MAPK14 (0.78) MAPK14FGFR4
SCHEMBL5230080 0.78 MAPK14 (0.78) MAPK14FGFR4
SCHEMBL5232789 0.77 MAPK14 (0.38) MAPK14MAPTTP53USP2
SCHEMBL22166056 0.76 FGFR4 (0.43) NPC1RAB9APKMPTGS1PTGS2
SCHEMBL22179317 0.76 HPGD (0.38) MAPTALDH1A1HPGDHTT
SCHEMBL5232057 0.73 MAPK14 (0.52) MAPK14MAPTLMNAALDH1A1MEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1228070-B1 HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE HOFFMANN LA ROCHE (CH) 2007-02-07 EP disclosed
EP-1228070-B1 HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE HOFFMANN LA ROCHE (CH) 2007-02-07 EP disclosed
US-6451804-B1 Heteroalkylamino-substituted bicyclic nitrogen heterocycles SYNTEX (U.S.A.) LLC 2002-09-17 US disclosed
EP-1228070-A1 HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE F. HOFFMANN-LA ROCHE AG (CH) 2002-08-07 EP disclosed
WO-2001029042-A1 HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 WO disclosed