SCHEMBL18059178

SCHEMBL18059178

O=C(O)c1cccc(Cc2ccc(Cl)cc2-c2cc(NCc3cccc(C(F)(F)F)c3)ncn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 3/20 0.49
CDC7 O00311 1/20 0.49
ROCK2 O75116 1/20 0.49
MAP4K4 O95819 1/20 0.49
PIM1 P11309 1/20 0.49
PRKACA P17612 1/20 0.49
CDK2 P24941 1/20 0.49
GSK3B P49841 1/20 0.49
HIPK2 Q9H2X6 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
IRAK4 Q9NWZ3 1/20 0.49
CYP1A2 P05177 4/20 0.45
CYP3A4 P08684 4/20 0.45
CYP2D6 P10635 4/20 0.45
CYP2C19 P33261 4/20 0.45
TSHR P16473 3/20 0.45
HIF1A Q16665 1/20 0.45
MRGPRX4 Q96LA9 4/20 0.44
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL46470 0.85 CLK4 (0.48) CLK4CDC7ROCK2MAP4K4PIM1
SCHEMBL18059156 0.79 CLK4 (0.46) CLK4CDC7ROCK2MAP4K4PIM1
SCHEMBL39097 0.79 CLK4 (0.58) CLK4CDC7ROCK2MAP4K4PIM1
SCHEMBL40589 0.77 ROCK2 (0.46) CLK4CDC7ROCK2MAP4K4PIM1
SCHEMBL46461 0.76 SLC34A2 (0.54) CLK4CDC7ROCK2MAP4K4PIM1
SCHEMBL6001515 0.73 SLC34A2 (0.42) CLK4CDC7ROCK2MAP4K4PIM1
SCHEMBL46471 0.73 SLC34A2 (0.46) CLK4CDC7ROCK2MAP4K4PIM1
SCHEMBL15432596 0.72 CYP1A2 (0.55) CLK4CDC7ROCK2PIM1PRKACA
SCHEMBL46732 0.71 CDC7 (0.41) CLK4CDC7ROCK2MAP4K4PIM1
SCHEMBL16298245 0.70 MRGPRX4 (0.66) MRGPRX4MEN1KMT2ANR4A2

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
EP-2591354-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-07 EP disclosed