SCHEMBL6586314

SCHEMBL6586314

Cc1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2n1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.70
MAPK14 Q16539 1/20 0.70
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
HTT P42858 2/20 0.62
MAPT P10636 1/20 0.62
RAB9A P51151 1/20 0.62
GRIK1 P39086 7/20 0.61
IGF1R P08069 2/20 0.60
KDR P35968 1/20 0.57
NPC1 O15118 1/20 0.56
TRPV1 Q8NER1 2/20 0.55
GSK3A P49840 1/20 0.55
GSK3B P49841 1/20 0.55
IDH1 O75874 1/20 0.54
LMNA P02545 1/20 0.54
MAPK1 P28482 1/20 0.54

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
SCHEMBL6586520 0.85 IGF1R (0.79) MEN1KMT2AHTTMAPTRAB9A
SCHEMBL6592577 0.83 IGF1R (0.65) BRAFMAPK14MEN1KMT2AHTT
SCHEMBL4855474 0.83 HTT (0.75) MEN1KMT2AHTTMAPTRAB9A
SCHEMBL6590889 0.82 NPC1 (0.65) MEN1KMT2AHTTMAPTRAB9A
SCHEMBL7690789 0.82 IGF1R (0.67) MEN1KMT2AHTTMAPTRAB9A
SCHEMBL6591375 0.81 S1PR1 (0.63) MEN1KMT2AHTTMAPTRAB9A
SCHEMBL6592545 0.81 IGF1R (0.79) MEN1KMT2AHTTMAPTRAB9A
SCHEMBL6587428 0.80 IGF1R (0.70) MEN1KMT2AHTTMAPTRAB9A
SCHEMBL6588598 0.79 IGF1R (0.77) MEN1KMT2AHTTMAPTRAB9A
SCHEMBL6587028 0.79 IGF1R (0.70) MEN1KMT2AHTTMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1150977-B1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-08-25 EP claimed
US-6699879-B1 OBESITY, DIABETES, SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-02 US claimed
EP-1150977-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2001-11-07 EP claimed
WO-2000047577-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-08-17 WO claimed
EP-1150977-B1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-08-25 EP disclosed
US-6699879-B1 OBESITY, DIABETES, SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-02 US disclosed
EP-1150977-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2001-11-07 EP disclosed
WO-2000047577-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-08-17 WO disclosed