SCHEMBL22299657

SCHEMBL22299657

COc1cc2ncnc(Nc3ccc(CP(=O)(O)O)cc3)c2cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.67
KDR P35968 10/20 0.67
RET P07949 2/20 0.67
GAK O14976 1/20 0.67
RIPK2 O43353 1/20 0.67
STK10 O94804 1/20 0.67
FLT3 P36888 1/20 0.67
JAK3 P52333 1/20 0.67
AAK1 Q2M2I8 1/20 0.67
Q6ZSR9 Q6ZSR9 1/20 0.67
SLK Q9H2G2 1/20 0.67
IRAK4 Q9NWZ3 1/20 0.67
RPS6KA6 Q9UK32 1/20 0.67
ALK Q9UM73 1/20 0.67
PIK3CD O00329 1/20 0.65
PIK3CA P42336 1/20 0.65
PIK3CB P42338 1/20 0.65
PIK3CG P48736 1/20 0.65
LCK P06239 5/20 0.65
FLT1 P17948 1/20 0.63

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
SCHEMBL22164689 0.89 KDR (0.64) EGFRKDRRETGAKRIPK2
SCHEMBL22290998 0.86 HTT (0.71) EGFRKDRLCK
SCHEMBL22164660 0.85 EGFR (0.70) EGFRKDRRETGAKRIPK2
SCHEMBL22299654 0.85 EGFR (0.63) EGFRKDRPIK3CDPIK3CAPIK3CB
SCHEMBL22300495 0.85 MAPT (0.70) EGFRKDRLCK
SCHEMBL22291146 0.85 EGFR (0.71) EGFRKDRRETGAKRIPK2
SCHEMBL25682990 0.83 KDR (0.78) EGFRKDRRETGAKRIPK2
SCHEMBL4760833 0.83 KDR (0.69) EGFRKDRRETGAKRIPK2
SCHEMBL22164809 0.82 EGFR (0.71) EGFRKDRRETGAKRIPK2
SCHEMBL22300265 0.82 EGFR (0.71) EGFRKDRRETGAKRIPK2

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
WO-2020160333-A1 ENPP1 INHIBITORS AND METHODS OF MODULATING IMMUNE RESPONSE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2020-08-06 WO disclosed