SCHEMBL6198152

SCHEMBL6198152

Nc1cccc(-c2n[nH]cc2CBr)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.45
PDE5A O76074 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE1C Q14123 1/20 0.41
PDE3A Q14432 1/20 0.41
METAP2 P50579 1/20 0.41
MAOA P21397 1/20 0.39
PDPK1 O15530 1/20 0.39
ATAD2 Q6PL18 1/20 0.38
MAP4K4 O95819 3/20 0.38
ENPP2 Q13822 1/20 0.37
MEN1 O00255 2/20 0.37
PSIP1 O75475 1/20 0.37
AXL P30530 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
DYRK1B Q9Y463 1/20 0.36
CYP17A1 P05093 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
SCHEMBL28583866 0.80 ALOX15 (0.43) PDE5APDE1APDE1BPDE3BPDE1C
SCHEMBL6590589 0.72 ALDH1A1 (0.40) AURKAPDE5APDE1APDE1BPDE3B
SCHEMBL6589267 0.71 NTRK1 (0.37) MAP4K4NPC1
SCHEMBL3519078 0.71 MCL1 (0.51) AURKAPDE5APDE1APDE1BPDE3B
SCHEMBL1849595 0.71 NTRK1 (0.50) AURKAMETAP2MAOAATAD2MAP4K4
SCHEMBL10969851 0.69 AURKA (0.42) AURKAPDE5APDE1APDE1BPDE3B
SCHEMBL12776054 0.67 PDE4B (0.39)
SCHEMBL18901018 0.66 DPP4 (0.44) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL8123308 0.66 MAP4K4 (0.45) AURKAMETAP2MAOAPDPK1ATAD2
SCHEMBL21225043 0.66 MAP2K4 (0.45) METAP2MEN1ALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1509505-A2 SMALL MOLECULE MODULATORS OF THE 5−HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2005-03-02 EP disclosed
EP-1071701-A4 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF ARENA PHARM INC (US) 2004-04-21 EP disclosed
WO-2003062206-A2 SMALL MOLECULE MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2003-07-31 WO 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