SCHEMBL2931272

SCHEMBL2931272

CSN(C(=O)O)c1ccc(Oc2ccnc(N)c2N)cc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.34
BTK Q06187 1/20 0.34
PDGFRA P16234 2/20 0.31
KDR P35968 2/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
LIPE Q05469 1/20 0.31
SCN9A Q15858 1/20 0.30
TNK2 Q07912 1/20 0.30
TLR7 Q9NYK1 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
SCHEMBL12274530 0.85 TNK2 (0.33) LIPETNK2
SCHEMBL2928213 0.72 PDGFRA (0.44) EGFRBTKPDGFRAKDR
SCHEMBL13603220 0.72 NOS3 (0.47) PDGFRAKDRNOS3NOS2SCN9A
SCHEMBL1146056 0.71 ADORA2A (0.42) EGFRBTKNOS3NOS2TNK2
SCHEMBL2931209 0.69 BRAF (0.44) EGFRBTKPDGFRAKDR
SCHEMBL2935339 0.68 PDGFRB (0.34) EGFRBTKPDGFRAKDR
SCHEMBL3757588 0.67 MAP4K4 (0.47) PDGFRAKDR
SCHEMBL2926569 0.64 KDR (0.47) PDGFRAKDR
SCHEMBL2935480 0.64 NPSR1 (0.50)
SCHEMBL3759308 0.64 AURKA (0.35) EGFRBTKKDR

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-2229391-A1 PYRIDO[2,3-B]PYRAZINE-8-SUBSTITUTED COMPOUNDS AND THEIR USE Cancer Research Technology Limited (GB) 2010-09-22 EP disclosed
WO-2009077766-A1 PYRIDO[2,3-B]PYRAZINE-8-SUBSTITUTED COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-06-25 WO disclosed