SCHEMBL5150627

SCHEMBL5150627

O=C(c1ccc[nH]c1=O)N(c1ccc(F)cc1)c1ccc(Oc2ccncc2[N+](=O)[O-])c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 8/20 0.39
▸ HSPB1 P04792 3/20 0.37
▸ MAPT P10636 4/20 0.37
▸ HTT P42858 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ GAA P10253 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ LCK P06239 1/20 0.35
▸ KIT P10721 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ RIPK1 Q13546 1/20 0.35
▸ RIPK3 Q9Y572 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL5154071 0.87 MET (0.41) METLCKKITKDRFLT3
SCHEMBL5150778 0.82 MET (0.39) METLCKKITKDRFLT3
SCHEMBL5157646 0.78 MET (0.37) METLCKKITKDRFLT3
SCHEMBL15542224 0.77 MET (0.39) METLCKKITKDRFLT3
SCHEMBL2588943 0.77 MET (0.36) METGAALCKKITKDR
SCHEMBL5186596 0.77 MET (0.53) METKDR
SCHEMBL5153188 0.76 BRD4 (0.45) MET
SCHEMBL5305342 0.75 MET (0.48) METKDR
SCHEMBL5304436 0.71 MET (0.52) METKDR
SCHEMBL5307620 0.70 MET (0.53) METKDRFLT3

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
EP-1737451-A2 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-01-03 — — EP disclosed
WO-2005117867-A2 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-15 — — WO disclosed
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