SCHEMBL2321795

SCHEMBL2321795

COc1ccc(-c2nc(C(=O)NCc3ccccc3)c3[nH]c(=O)[nH]c3n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 1/20 0.54
TP53 P04637 2/20 0.53
HPGDS O60760 1/20 0.49
KDM4E B2RXH2 2/20 0.48
ADORA3 P0DMS8 2/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47

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
SCHEMBL2918147 0.73 NPC1 (0.83) NPC1RAB9ATP53KMT2AMEN1
SCHEMBL5116917 0.71 TP53 (0.57) GSK3BNPC1RAB9ATP53GAA
SCHEMBL5270246 0.71 NPC1 (0.57) GSK3BNPC1RAB9ATP53ALDH1A1
SCHEMBL1926263 0.71 NPC1 (1.00) NPC1RAB9ATP53KMT2AMEN1
SCHEMBL2526264 0.70 NPC1 (0.83) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL2321808 0.69 ALDH1A1 (0.54) TP53KDM4EKMT2AMEN1ALDH1A1
SCHEMBL22542835 0.69 LMNA (0.55) TP53KDM4EKMT2AMEN1ALDH1A1
SCHEMBL22543071 0.69 TACR3 (0.59) GSK3BHPGDSKDM4EADORA3KMT2A
SCHEMBL5331526 0.68 MMP13 (0.74) NPC1RAB9ATP53HPGDSKMT2A
SCHEMBL5114522 0.68 SMN1; SMN2 (0.49) GSK3BTP53HPGDSKMT2AMEN1

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-2909627-A2 INHIBITION OF PHOSPHORYLATION OF PRAS40, GSK3-BETA OR P70S6K1 AS A MARKER FOR TOR KINASE INHIBITORY ACTIVITY Signal Pharmaceuticals, LLC (US) 2015-08-26 EP disclosed
EP-2908814-A2 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2015-08-26 EP disclosed
WO-2014062878-A9 TREATMENT OF PROSTATE CANCER WITH TOR KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2014-12-18 WO disclosed
WO-2014066125-A2 INHIBITION OF PHOSPHORYLATION OF PRAS40, GSK3-BETA OR P70S6K1 AS A MARKER FOR TOR KINASE INHIBITORY ACTIVITY SIGNAL PHARMACEUTICALS, LLC (US) 2014-05-01 WO disclosed
WO-2014062878-A2 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2014-04-24 WO disclosed
EP-2531194-A1 IDENTIFICATION OF LKB1 MUTATION AS A PREDICTIVE BIOMARKER FOR SENSITIVITY TO TOR KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2012-12-12 EP disclosed
WO-2011097333-A1 IDENTIFICATION OF LKB1 MUTATION AS A PREDICTIVE BIOMARKER FOR SENSITIVITY TO TOR KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2011-08-11 WO disclosed