SCHEMBL4365025

SCHEMBL4365025

OCC#Cc1cccc(N/C(=N\O)c2nonc2[AsH2])c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.36
PTPN11 Q06124 1/20 0.34
ALDH1A1 P00352 1/20 0.32
GRM5 P41594 1/20 0.31
FGFR3 P22607 1/20 0.31
KDR P35968 1/20 0.31
HAO1 Q9UJM8 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
SCHEMBL4365027 1.00 EGFR (0.36) EGFRPTPN11ALDH1A1GRM5FGFR3
SCHEMBL2518035 0.87 IDO1 (0.39) EGFRPTPN11ALDH1A1
SCHEMBL2518029 0.87 IDO1 (0.39) EGFRPTPN11ALDH1A1
SCHEMBL4365029 0.78 IDO1 (0.46)
SCHEMBL6046563 0.74 IDO1 (0.41) ALDH1A1
SCHEMBL6046562 0.74 IDO1 (0.41) ALDH1A1
SCHEMBL12053017 0.73 EGFR (0.37) EGFRPTPN11ALDH1A1KDRHAO1
SCHEMBL2515556 0.72 IDO1 (0.42) EGFR
SCHEMBL2515541 0.72 IDO1 (0.42) EGFR
SCHEMBL4980790 0.70 ALDH1A1 (0.45) ALDH1A1

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-1879573-A4 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME INCYTE CORP (US) 2009-07-08 EP claimed
EP-1879573-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME Incyte Corporation (US) 2008-01-23 EP claimed
WO-2006122150-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME INCYTE CORPORATION (US) 2006-11-16 WO claimed