SCHEMBL5147544

SCHEMBL5147544

CC(C)n1nc(I)c2c([AsH2])ncnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 11/20 0.41
SRC P12931 11/20 0.41
PIK3CD O00329 9/20 0.41
PIK3CB P42338 9/20 0.41
PIK3CG P48736 9/20 0.41
HCK P08631 9/20 0.41
KDR P35968 9/20 0.41
EGFR P00533 8/20 0.41
PIK3CA P42336 8/20 0.41
MTOR P42345 8/20 0.41
EPHB4 P54760 8/20 0.41
PRKDC P78527 8/20 0.41
PI4KB Q9UBF8 8/20 0.41
RET P07949 8/20 0.40
CYP1A2 P05177 1/20 0.37
FGR P09769 1/20 0.37
RPS6KB1 P23443 1/20 0.37
FLT4 P35916 1/20 0.37
MAP2K2 P36507 1/20 0.37
MAP2K1 Q02750 1/20 0.37

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
SCHEMBL868687 0.80 ABL1 (0.58) ABL1SRCPIK3CDPIK3CBPIK3CG
SCHEMBL16375259 0.67 SRC (0.44) ABL1SRCPIK3CDPIK3CBPIK3CG
SCHEMBL4572199 0.66 SRC (0.54) ABL1SRCPIK3CDPIK3CBPIK3CG
SCHEMBL4572200 0.66 SRC (0.54) ABL1SRCPIK3CDPIK3CBPIK3CG
SCHEMBL10261918 0.66 SRC (0.66) ABL1SRCPIK3CDPIK3CBPIK3CG
SCHEMBL15956509 0.64 SRC (0.47) ABL1SRCPIK3CDPIK3CBPIK3CG
SCHEMBL4572203 0.64 SRC (0.44) ABL1SRCPIK3CDPIK3CBPIK3CG
SCHEMBL4572206 0.64 SRC (0.47) ABL1SRCPIK3CDPIK3CBPIK3CG
SCHEMBL6925165 0.63 SRC (0.58) ABL1SRCPIK3CDPIK3CBPIK3CG
SCHEMBL5015920 0.63 RET (0.48) SRCKDREGFRRETRPS6KB1

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-2004654-A2 KINASE ANTAGONISTS The Regents of the University of California (US) 2008-12-24 EP disclosed
WO-2007114926-A2 KINASE ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-10-11 WO disclosed