SCHEMBL4564569

SCHEMBL4564569

NC(=O)c1c(C[CH]C(=O)NCc2ccc(Nc3ccccc3)nc2)ccc(Cl)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.39
JAK2 O60674 6/20 0.39
JAK1 P23458 6/20 0.39
TYK2 P29597 6/20 0.39
IRAK4 Q9NWZ3 3/20 0.39
HCAR3 P49019 1/20 0.37
CSF1R P07333 1/20 0.36
BTK Q06187 1/20 0.36
NAMPT P43490 3/20 0.35
CYP2C9 P11712 1/20 0.35
CNR2 P34972 1/20 0.35
CXCR2 P25025 1/20 0.33
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
AURKB Q96GD4 1/20 0.33
PLAU P00749 1/20 0.33
MAPT P10636 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
SCHEMBL3153398 0.83 EPHX2 (0.39) JAK2NAMPTRPS6KB1AURKB
SCHEMBL4556652 0.82 CDC7 (0.31) JAK2CYP2C9RPS6KB1AURKBPLAU
SCHEMBL3149479 0.75 EPHX2 (0.39) NAMPT
SCHEMBL3144720 0.73 HDAC1 (0.39) NAMPT
SCHEMBL3144560 0.71 NAMPT (0.40) NAMPTPLAUMAPT
SCHEMBL4564571 0.69 JAK3 (0.41) JAK3JAK2JAK1TYK2IRAK4
SCHEMBL3149495 0.68 NAMPT (0.40) NAMPTAURKARPS6KB1
SCHEMBL3153349 0.68 NAMPT (0.40) NAMPT
SCHEMBL3144699 0.68 NAMPT (0.39) NAMPTAURKARPS6KB1
SCHEMBL4556459 0.67 NPSR1 (0.33)

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