SCHEMBL6587748

SCHEMBL6587748

COc1cccc(N(C=O)Nc2cccc(-c3n[nH]c(C)c3Br)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
MAPT P10636 4/20 0.36
DCUN1D1 Q96GG9 1/20 0.35
ALOX15 P16050 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAP2K7 O14733 1/20 0.34
KDR P35968 1/20 0.34
AURKA O14965 1/20 0.34
TP53 P04637 1/20 0.33
NOTUM Q6P988 1/20 0.33
TTK P33981 1/20 0.33
PLK1 P53350 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33

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
SCHEMBL6591549 0.91 GAA (0.37) GAAMAPTAURKATTK
SCHEMBL6591727 0.88 MAP2K7 (0.38) SMN1; SMN2MAP2K7KDRAURKANOTUM
SCHEMBL6587159 0.86 MET (0.37) MAPTMAP2K7KDRAURKATP53
SCHEMBL6585177 0.83 MAP2K4 (0.35) MAPTMAP2K7AURKA
SCHEMBL6589079 0.81 MAP2K4 (0.35) GAAMAPTMAP2K7KDRAURKA
SCHEMBL2959062 0.80 L3MBTL1 (0.45) MAPTALOX15SMN1; SMN2KDRTP53
SCHEMBL6585445 0.80 MAP2K4 (0.35) MAP2K7TTKLRRK2
SCHEMBL6586649 0.80 KIF11 (0.38) MAP2K7KDRPLK1
SCHEMBL6588565 0.80 PDE5A (0.34) MAP2K7AURKA
SCHEMBL6589050 0.79 HSP90AA1 (0.35) GAAMAPTAURKATTK

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-1071701-A4 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF ARENA PHARM INC (US) 2004-04-21 EP disclosed
EP-1244632-A1 PYRAZOLE DERIVATIVES WHICH MODULATE HUMAN SEROTONIN RECEPTORS Arena Pharmaceuticals, Inc. (US) 2002-10-02 EP disclosed
WO-2001029008-A1 PYRAZOLE DERIVATIVES WHICH MODULATE HUMAN SEROTONIN RECEPTORS ARENA PHARMACEUTICALS, INC. (US) 2001-04-26 WO disclosed
EP-1071701-A1 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF Arena Pharmaceuticals, Inc. (US) 2001-01-31 EP disclosed
WO-1999052927-A1 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF ARENA PHARMACEUTICALS, INC. (US) 1999-10-21 WO disclosed