SCHEMBL3796802

SCHEMBL3796802

N#Cc1nc(-c2c(F)cccc2Cl)[nH]c1C#Cc1cccc(N)c1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGES O14684 20/20 0.42
JAK2 O60674 1/20 0.41
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL3798163 0.88 PTGES (0.51) PTGESJAK2
SCHEMBL3793767 0.85 PTGES (0.45) PTGESJAK2PTGS1PTGS2
SCHEMBL3794537 0.85 PTGES (0.54) PTGESJAK2PTGS1
SCHEMBL3794452 0.83 PTGES (0.44) PTGESJAK2
SCHEMBL3791122 0.82 PTGES (0.50) PTGESJAK2
SCHEMBL3798353 0.81 PTGES (0.46) PTGESJAK2PTGS1PTGS2
SCHEMBL3794308 0.81 PTGES (0.47) PTGESJAK2PTGS1PTGS2
SCHEMBL3719623 0.80 PTGES (0.46) PTGESJAK2PTGS1PTGS2
SCHEMBL3801685 0.79 PTGES (0.51) PTGESJAK2
SCHEMBL3792479 0.78 PTGES (0.41) PTGESJAK2PTGS1PTGS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010127152-A2 COMPOUNDS AND COMPOSITIONS AS MICROSOMAL PROSTAGLANDIN E SYNTHASE-1 INHIBITORS IRM LLC (BM) 2010-11-04 WO claimed
WO-2010127152-A2 COMPOUNDS AND COMPOSITIONS AS MICROSOMAL PROSTAGLANDIN E SYNTHASE-1 INHIBITORS IRM LLC (BM) 2010-11-04 WO disclosed