SCHEMBL7255808

SCHEMBL7255808

CN(C)CCNc1cc(C(=O)Nc2ccc3[nH]ncc3c2)c(F)cc1F

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.57
JAK1 P23458 2/20 0.57
RPS6KB1 P23443 5/20 0.52
ROCK2 O75116 5/20 0.52
ROCK1 Q13464 5/20 0.52
NPC1 O15118 7/20 0.52
RAB9A P51151 7/20 0.52
MAOB P27338 3/20 0.49
DYRK3 O43781 1/20 0.49
MAP4K4 O95819 1/20 0.49
CLK2 P49760 1/20 0.49
CSNK2A1 P68400 1/20 0.49
DYRK1A Q13627 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL7261196 0.93 NPC1 (0.57) JAK2JAK1RPS6KB1ROCK2ROCK1
SCHEMBL7255709 0.88 JAK2 (0.58) JAK2JAK1RPS6KB1ROCK2ROCK1
SCHEMBL7255640 0.82 JAK2 (0.52) JAK2JAK1RPS6KB1ROCK2ROCK1
SCHEMBL7256698 0.81 NPC1 (0.61) JAK2JAK1RPS6KB1ROCK2ROCK1
SCHEMBL7261149 0.81 NPC1 (0.68) JAK2JAK1RPS6KB1ROCK2ROCK1
SCHEMBL7259291 0.81 ROCK1 (0.58) JAK2JAK1RPS6KB1ROCK2ROCK1
SCHEMBL7256479 0.80 LRRK2 (0.53) JAK2JAK1RPS6KB1ROCK2ROCK1
SCHEMBL7261177 0.79 JAK2 (0.48) JAK2JAK1RPS6KB1ROCK2ROCK1
SCHEMBL7256998 0.78 JAK2 (0.56) JAK2JAK1RPS6KB1ROCK2ROCK1
SCHEMBL7255625 0.74 NPC1 (0.57) JAK2JAK1ROCK1NPC1RAB9A

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-2003002518-A1 NOVEL 2,4-DIFLUOROBENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS DONG HWA PHARM. IND. CO., LTD. (KR) 2003-01-09 WO disclosed