SCHEMBL2311112

SCHEMBL2311112

CNc1nccc(Oc2ccc(N(F)C(=O)O)cc2)c1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 4/20 0.36
KDR P35968 4/20 0.36
PYGL P06737 4/20 0.32
PYGM P11217 4/20 0.32
MAPT P10636 3/20 0.31
LMNA P02545 2/20 0.31
HTT P42858 1/20 0.31
GAA P10253 3/20 0.30
MEN1 O00255 1/20 0.30
PKM P14618 1/20 0.30
KMT2A Q03164 1/20 0.30
F13A1 P00488 1/20 0.30
RAB9A P51151 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
MET P08581 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
SCHEMBL2315672 0.87 PDGFRA (0.33) PDGFRAKDRMAPTLMNA
SCHEMBL4467724 0.81 PDGFRA (0.46) PDGFRAKDRMAPTLMNAGAA
SCHEMBL4467713 0.81 PDGFRA (0.46) PDGFRAKDRMAPTLMNAGAA
SCHEMBL2311104 0.76 KDR (0.44) PDGFRAKDRPYGLPYGMMET
SCHEMBL2311116 0.76 KDR (0.44) PDGFRAKDRPYGLPYGMMET
SCHEMBL4466297 0.74 PRMT1 (0.49) PDGFRAKDRMAPTGAAMEN1
SCHEMBL2315662 0.70 KDR (0.45) PDGFRAKDRMET
SCHEMBL2932065 0.69 BRAF (0.52)
SCHEMBL12616271 0.68 MEN1 (0.44) PDGFRAKDRMEN1KMT2ARAB9A
SCHEMBL13603235 0.67 PRMT1 (0.51) PDGFRAKDRMAPTGAAMEN1

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-2531502-A1 1-(5-TERT-BUTYL-2-PHENYL-2H-PYRAZOL-3-YL)-3-[2-FLUORO-4-(1-METHYL-2-OXO-2,3-DIHYDRO-1H-IMIDAZO[4,5-B]PYRIDIN-7-YLOXY)-PHENYL]-UREA AND RELATED COMPOUNDS AND THEIR USE IN THERAPY Cancer Research Technology Limited (GB) 2012-12-12 EP disclosed
WO-2011092469-A1 1-(5-TERT-BUTYL-2-PHENYL-2H-PYRAZOL-3-YL)-3-[2-FLUORO-4-(1-METHYL-2-OXO-2,3-DIHYDRO-1H-IMIDAZO[4,5-B]PYRIDIN-7-YLOXY)-PHENYL]-UREA AND RELATED COMPOUNDS AND THEIR USE IN THERAPY CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-08-04 WO disclosed