SCHEMBL14433682

SCHEMBL14433682

C=C(N/N=N\N)c1ccc2c(c1)c1cc(Cl)ccc1c1[nH]c(-c3c(F)cccc3Cl)nc21

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGES O14684 19/20 0.64
JAK2 O60674 3/20 0.53
JAK3 P52333 1/20 0.46
TBXAS1 P24557 1/20 0.45

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
SCHEMBL4354984 0.82 PTGES (0.92) PTGESJAK2JAK3
SCHEMBL4356662 0.78 PTGES (0.82) PTGESJAK2JAK3
SCHEMBL4353538 0.77 PTGES (0.79) PTGESJAK2JAK3
SCHEMBL4049140 0.76 PTGES (0.91) PTGESJAK2JAK3
SCHEMBL4352518 0.76 PTGES (0.77) PTGESJAK2TBXAS1
SCHEMBL4356279 0.72 PTGES (0.72) PTGESJAK2JAK3
SCHEMBL1758282 0.72 PTGES (1.00) PTGESJAK2JAK3
SCHEMBL4050656 0.71 PTGES (0.71) PTGESJAK2
SCHEMBL12329985 0.71 PTGES (0.80) PTGESJAK2TBXAS1
SCHEMBL4361691 0.69 PTGES (1.00) PTGESJAK2JAK3

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-2007095753-A1 2-(PHENYL OR HETEROCYCLIC) - 1H-PHENANTHRO [9,10-D] IMIDAZOLES MERCK FROSST CANADA LTD. (CA) 2007-08-30 WO disclosed