SCHEMBL6589267

SCHEMBL6589267

CN(C)c1ccc(Nc2cccc(-c3n[nH]cc3CBr)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.37
PDGFRB P09619 2/20 0.36
PDGFRA P16234 2/20 0.36
EGFR P00533 2/20 0.36
CDK1 P06493 1/20 0.36
PRKCA P17252 1/20 0.36
PNPLA2 Q96AD5 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MAP4K4 O95819 1/20 0.36
FLT3 P36888 1/20 0.36
CDK5 Q00535 1/20 0.36
KDM1A O60341 5/20 0.36
FLT1 P17948 1/20 0.35
MAPK10 P53779 1/20 0.35
MAPK14 Q16539 1/20 0.35
IGF1R P08069 1/20 0.34
TNIK Q9UKE5 1/20 0.34
PTK2 Q05397 1/20 0.34
NPC1 O15118 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
SCHEMBL6588837 0.85 NOX1 (0.51) NTRK1PDGFRAPNPLA2HDAC6NPC1
SCHEMBL6588569 0.76 JAK3 (0.34) NTRK1
SCHEMBL6586018 0.73 NTRK1 (0.34) NTRK1
SCHEMBL6592078 0.73 MAPK14 (0.36) NTRK1EGFRMAPK10MAPK14
SCHEMBL6587712 0.71 TTK (0.37) NTRK1EGFRCDK1
SCHEMBL6198152 0.71 AURKA (0.45) MAP4K4NPC1
SCHEMBL6584858 0.71 KCNK3 (0.35) NTRK1
SCHEMBL6587108 0.71 TRPV1 (0.34) NPC1
SCHEMBL6587574 0.70 CNR1 (0.56) NTRK1NPC1
SCHEMBL6480183 0.70 L3MBTL1 (0.50) PDGFRBPDGFRAEGFRCDK1PRKCA

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 3 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-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