SCHEMBL16555031

SCHEMBL16555031

CC(Oc1ccc(N)nc1)c1c(Cl)cccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 5/20 0.48
MPO P05164 1/20 0.44
TPO P07202 1/20 0.44
EPX P11678 1/20 0.44
LPO P22079 1/20 0.44
CDK8 P49336 5/20 0.40
LTA4H P09960 1/20 0.39
MET P08581 6/20 0.39
KDR P35968 3/20 0.38
SRC P12931 2/20 0.38
KIT P10721 1/20 0.38
FGFR2 P21802 1/20 0.38
AXL P30530 1/20 0.38
FLT3 P36888 1/20 0.38
MST1R Q04912 1/20 0.38
JAK2 O60674 1/20 0.38
ETV6 P41212 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
SCHEMBL16555527 0.78 INPPL1 (0.60) INPPL1METKDRSRCKIT
SCHEMBL1000603 0.76 NOS3 (0.46) MPOTPOEPXLPOLTA4H
SCHEMBL13577142 0.75 MET (0.42) INPPL1METKDRSRCKIT
SCHEMBL3102747 0.75 NR4A1 (0.41) INPPL1METKDRSRCKIT
Hydrochloric Acid SCHEMBL710140 0.75 NOS3 (0.45) MPOTPOEPXLPOLTA4H
SCHEMBL13577182 0.73 CYP3A4 (0.47) INPPL1METKDRSRCKIT
SCHEMBL13577014 0.72 MET (0.48) INPPL1METKDRSRCKIT
SCHEMBL15779489 0.70 MET (0.71) LTA4HMETJAK2
SCHEMBL488890 0.70 MET (0.44) METJAK2
SCHEMBL13075015 0.69 MCHR1 (0.45) MPOTPOEPXLPOLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015034729-A1 SUBSTITUTED PYRIDINE COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2015-03-12 WO disclosed