SCHEMBL2597880

SCHEMBL2597880

Nc1ccc(Cl)nc1NCCc1ccc2ncccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.43
DAO P14920 1/20 0.43
MET P08581 5/20 0.42
CASP6 P55212 1/20 0.42
HTT P42858 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.40
CNR2 P34972 2/20 0.39
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL1330149 0.88 NPC1 (0.47) HDAC3DAOMETCASP6HTT
SCHEMBL15286707 0.81 MAPT (0.52) DAOMETHTTALDH1A1MAPT
SCHEMBL21167740 0.78 NPC1 (0.49) HDAC3METHTTKDM4EALDH1A1
SCHEMBL9609090 0.75 HTT (0.64) HTTKDM4EMAPTTSHRSMN1; SMN2
SCHEMBL24591086 0.73 NPC1 (0.47) HDAC3METHTTKDM4EALDH1A1
SCHEMBL1513260 0.73 APP (0.60) HTTTP53MAPTTSHRATM
SCHEMBL1329723 0.73 CASP6 (0.44) METCASP6HTTKDM4EALDH1A1
SCHEMBL3395746 0.72 MET (0.48) HDAC3DAOMETCASP6HTT
SCHEMBL23128076 0.72 NPC1 (0.44) HDAC3METHTTKDM4EALDH1A1
SCHEMBL1330016 0.71 MET (0.45) METCASP6HTTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2831073-A2 NOVEL 3,5-DISUBSTITUED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5- DISUBSTITUED -3H-[1,2,3]TRIAZOLO[4,5-B]PYRIDINE COMPOUNDS AS MODULATORS OF C-MET PROTEIN KINASES Rhizen Pharmaceuticals S.A. (CH) 2015-02-04 EP disclosed
WO-2013144737-A2 NOVEL 3,5-DISUBSTITUED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5- DISUBSTITUED -3H-[1,2,3]TRIAZOLO[4,5-B] PYRIDINE COMPOUNDS AS MODULATORS OF C-MET PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2013-10-03 WO disclosed
EP-2571878-A1 NOVEL 3,5-DISUBSTITUED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5- DISUBSTITUED -3H-[1,2,3]TRIAZOLO[4,5-B]PYRIDINE COMPOUNDS AS MODULATORS OF PROTEIN KINASES Incozen Therapeutics Pvt. Ltd. (IN) 2013-03-27 EP disclosed
WO-2011145035-A1 NOVEL 3,5-DISUBSTITUED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5- DISUBSTITUED -3H-[1,2,3]TRIAZOLO[4,5-B] PYRIDINE COMPOUNDS AS MODULATORS OF PROTEIN KINASES INDIAN INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-11-24 WO disclosed