SCHEMBL4564571

SCHEMBL4564571

NC(=O)[C@@H](C(=O)NCc1ccc(Nc2ccccc2)nc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 7/20 0.41
JAK2 O60674 4/20 0.41
JAK1 P23458 4/20 0.41
TYK2 P29597 4/20 0.41
IRAK4 Q9NWZ3 4/20 0.41
HCAR3 P49019 1/20 0.39
RAB9A P51151 1/20 0.39
NAMPT P43490 3/20 0.39
CYP2C9 P11712 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
S1PR3 Q99500 1/20 0.38
CNR2 P34972 2/20 0.37
TRPV1 Q8NER1 1/20 0.36
F7 P08709 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
SCHEMBL4308746 0.82 NAMPT (0.41) NAMPTMEN1KMT2AF7
SCHEMBL4556654 0.81 MEN1 (0.40) RAB9AMEN1KMT2AS1PR3TRPV1
Hydrochloric Acid SCHEMBL4310570 0.81 NAMPT (0.40) NAMPTMEN1KMT2AF7
SCHEMBL4303439 0.71 NAMPT (0.53) NAMPTMEN1KMT2A
SCHEMBL4309422 0.70 NAMPT (0.43) NAMPT
SCHEMBL1434152 0.70 KLKB1 (0.41) F7
SCHEMBL4318995 0.70 NAMPT (0.49) NAMPT
SCHEMBL4310295 0.69 CYP2C9 (0.46) RAB9ANAMPTCYP2C9MEN1KMT2A
SCHEMBL4564569 0.69 JAK3 (0.39) JAK3JAK2JAK1TYK2IRAK4
Hydrochloric Acid SCHEMBL1907358 0.68 METAP2 (0.41) JAK3JAK2JAK1TYK2IRAK4

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-2009133348-A1 AMINOPYRIDINE DERIVATIVES VANTIA LIMITED (GB) 2009-11-05 WO disclosed