SCHEMBL15925261

SCHEMBL15925261

CC(=O)Nc1ccc(Oc2ccnc(N)c2[N+](=O)[O-])cc1F

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.46
KDR P35968 4/20 0.45
PDGFRA P16234 2/20 0.45
KIT P10721 1/20 0.45
FGFR2 P21802 1/20 0.45
AXL P30530 1/20 0.45
MAPK13 O15264 4/20 0.44
BRAF P15056 5/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL2314497 0.91 KDR (0.43) MAPK14KDRPDGFRAKITFGFR2
SCHEMBL2314489 0.91 KDR (0.43) MAPK14KDRPDGFRAKITFGFR2
SCHEMBL4458374 0.88 BRAF (0.45) MAPK14KDRPDGFRAKITFGFR2
SCHEMBL29837315 0.87 KDR (0.45) MAPK14KDRPDGFRAKITFGFR2
SCHEMBL2973081 0.87 KDR (0.45) MAPK14KDRPDGFRAKITFGFR2
SCHEMBL13822027 0.86 KDR (0.59) KDRBRAF
SCHEMBL2932337 0.82 BRAF (0.65) KDRBRAF
SCHEMBL2932789 0.81 MAPT (0.43)
SCHEMBL28706536 0.79 KDR (0.43) KDRPDGFRABRAF
SCHEMBL29662384 0.79 KDR (0.43) KDRPDGFRABRAF

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
EP-2229391-B1 PYRIDO[2,3-B]PYRAZINE-8-SUBSTITUTED COMPOUNDS AND THEIR USE CANCER REC TECH LTD (GB) 2014-08-06 EP disclosed