SCHEMBL5232944

SCHEMBL5232944

O=C1Nc2nc(S(=O)(=O)Cc3ccccc3)ncc2CN1c1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.51
TP53 P04637 7/20 0.45
MAPT P10636 4/20 0.45
GFER P55789 2/20 0.44
NPC1 O15118 10/20 0.42
KMT2A Q03164 8/20 0.42
TLR9 Q9NR96 6/20 0.42
HSP90AA1 P07900 4/20 0.42
PAX8 Q06710 4/20 0.42
MITF O75030 4/20 0.42
MEN1 O00255 2/20 0.42
UBE2N P61088 1/20 0.42
NLRP3 Q96P20 1/20 0.42
AGTR1 P30556 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
RAB9A P51151 7/20 0.40

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
SCHEMBL5236612 0.88 GFER (0.44) MAPK14TP53MAPTGFERNPC1
SCHEMBL6620665 0.88 TP53 (0.39) MAPK14TP53MAPTGFERNPC1
SCHEMBL5233176 0.84 MAPK14 (0.55) MAPK14TP53MAPTNPC1KMT2A
SCHEMBL5232057 0.78 MAPK14 (0.52) MAPK14MAPTNPC1KMT2AHSP90AA1
SCHEMBL5234743 0.77 TP53 (0.40) TP53MAPTGFERNPC1KMT2A
SCHEMBL5230603 0.76 TP53 (0.39) TP53MAPTGFERNPC1KMT2A
SCHEMBL7529108 0.76 TP53 (0.39) TP53MAPTGFERNPC1KMT2A
SCHEMBL5228380 0.76 TP53 (0.39) TP53MAPTGFERNPC1KMT2A
SCHEMBL5227909 0.76 EGFR (0.50)
SCHEMBL5231179 0.76 TP53 (0.39) TP53MAPTGFERNPC1KMT2A

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 9 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
EP-1226144-B1 ALKYLAMINO SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE HOFFMANN LA ROCHE (CH) 2006-12-27 EP disclosed
US-6642241-B1 Alkylamino- substituted dihydropyrimido-(4,5-d)pyrimidinone derivatives, inhibitors of p38, SYNTEX (U.S.A.) LLC 2003-11-04 US 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
EP-1226144-A1 ALKYLAMINO SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE F. HOFFMANN-LA ROCHE AG (CH) 2002-07-31 EP disclosed
WO-2001029041-A1 ALKYLAMINO SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 WO 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