SCHEMBL3794879

SCHEMBL3794879

Fc1cccc(Cl)c1-c1nc(-c2cnc(Br)nc2)c[nH]1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGES O14684 17/20 0.47
JAK2 O60674 2/20 0.40
PIM1 P11309 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
JAK3 P52333 1/20 0.35
ORAI1 Q96D31 1/20 0.35

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
SCHEMBL3796002 0.89 PTGES (0.43) PTGESJAK2PIM1CSNK2A2CSNK2B
SCHEMBL3796320 0.88 PTGES (0.49) PTGESJAK2PIM1CSNK2A2CSNK2B
SCHEMBL3802996 0.85 PTGES (0.43) PTGESJAK2
SCHEMBL29662800 0.82 PTGES (0.43) PTGESJAK2JAK3
SCHEMBL13076230 0.82 PTGES (0.43) PTGESJAK2JAK3
SCHEMBL13076361 0.80 PTGES (0.53) PTGESJAK2
SCHEMBL3795491 0.79 PTGES (0.43) PTGESJAK2
SCHEMBL3801417 0.79 PTGES (0.48) PTGESJAK2JAK3
SCHEMBL3799056 0.78 PTGES (0.40) PTGESJAK2JAK3ORAI1
SCHEMBL3800068 0.78 PTGES (0.40) PTGESJAK2PIM1CSNK2A2CSNK2B

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