SCHEMBL17017907

SCHEMBL17017907

O=C(O)c1cnc(Nc2cc(COc3ccc(I)c4ccccc34)ccn2)cn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.40
HCK P08631 8/20 0.36
MAPK12 P53778 8/20 0.36
MAPK14 Q16539 8/20 0.36
SRC P12931 2/20 0.36
P4HTM Q9NXG6 1/20 0.35
XDH P47989 1/20 0.35
LRRK2 Q5S007 1/20 0.35
FFAR1 O14842 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
FABP4 P15090 1/20 0.33
CTSV O60911 1/20 0.33
CTSL P07711 1/20 0.33
NR3C2 P08235 1/20 0.33
SGMS2 Q8NHU3 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
SCHEMBL17017129 0.89 MRGPRX4 (0.40) MRGPRX4HCKMAPK12MAPK14SRC
SCHEMBL18567060 0.88 MRGPRX4 (0.42) MRGPRX4HCKMAPK12MAPK14SRC
Hydrochloric Acid SCHEMBL17008549 0.88 MRGPRX4 (0.40) MRGPRX4HCKMAPK12MAPK14SRC
SCHEMBL31086848 0.85 CTSV (0.43) MRGPRX4HCKMAPK12MAPK14SRC
SCHEMBL17008498 0.85 CTSV (0.43) MRGPRX4HCKMAPK12MAPK14SRC
SCHEMBL17017643 0.82 LRRK2 (0.41) MRGPRX4HCKMAPK12MAPK14SRC
SCHEMBL17008543 0.81 MAPK14 (0.45) MRGPRX4HCKMAPK12MAPK14SRC
SCHEMBL17008477 0.80 MRGPRX4 (0.39) MRGPRX4HCKMAPK12MAPK14SRC
SCHEMBL17017125 0.79 PIK3C3 (0.37) MRGPRX4HCKMAPK12MAPK14SRC
SCHEMBL17017799 0.78 GABRA1 (0.41) HCKMAPK12MAPK14SRCMEN1

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-2015121660-A1 PYRAZOLYL-UREAS AS KINASE INHIBITORS RESPIVERT LIMITED (GB) 2015-08-20 WO disclosed