SCHEMBL2580083

SCHEMBL2580083

Cc1c(Cc2ccc(-n3cc(C4CC4)cn3)cc2)c(OC(F)F)nc2c(Cl)ccc(O)c12

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR4 P46093 2/20 0.32
RXRA P19793 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
USP1 O94782 2/20 0.30
MAT2A P31153 1/20 0.30

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
SCHEMBL2576049 0.91 PTGDR2 (0.37) GPR4RXRAGRIN1GRIN2B
SCHEMBL2580081 0.90 USP1 (0.32) GPR4RXRAGRIN1GRIN2BUSP1
SCHEMBL2579246 0.88 PTGDR2 (0.34) GPR4
SCHEMBL2570644 0.86 PTGDR2 (0.44)
SCHEMBL2574521 0.85 USP1 (0.32) USP1
SCHEMBL2573616 0.84 PTGDR2 (0.36) USP1
SCHEMBL2579403 0.83
SCHEMBL2576048 0.81 PTGDR2 (0.37) GPR4RXRAGRIN1GRIN2BUSP1
SCHEMBL2579240 0.78 PTGDR2 (0.34) GPR4
SCHEMBL2575104 0.78 PTGDR2 (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139881-B1 QUINOLINES AND THEIR THERAPEUTIC USE PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2011-11-09 EP claimed
EP-2139881-A1 QUINOLINES AND THEIR THERAPEUTIC USE Argenta Oral Therapeutics Limited (GB) 2010-01-06 EP disclosed
WO-2008122784-A1 QUINOLINES AND THEIR THERAPEUTIC USE ARGENTA DISCOVERY LIMITED (GB) 2008-10-16 WO disclosed