SCHEMBL25465019

SCHEMBL25465019

COc1ccc2c(Nc3ccc(S(=N)(=O)NC[C@@H](C)O)cc3)ncnc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.54
CSF1R P07333 1/20 0.54
MAPT P10636 1/20 0.48
GRM1 Q13255 1/20 0.48
LCK P06239 3/20 0.47
KDR P35968 3/20 0.46
ERBB2 P04626 1/20 0.46
NPC1 O15118 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GAK O14976 1/20 0.43
RIPK2 O43353 1/20 0.43
STK10 O94804 1/20 0.43
RET P07949 1/20 0.43
FLT3 P36888 1/20 0.43
JAK3 P52333 1/20 0.43
AAK1 Q2M2I8 1/20 0.43
Q6ZSR9 Q6ZSR9 1/20 0.43
SLK Q9H2G2 1/20 0.43

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
SCHEMBL25468138 1.00 EGFR (0.54) EGFRCSF1RMAPTGRM1LCK
SCHEMBL25464965 0.85 GAK (0.49) MAPTKDRHTTGAKRIPK2
SCHEMBL30417135 0.85 GAK (0.49) MAPTKDRHTTGAKRIPK2
SCHEMBL25466677 0.85 GAK (0.49) MAPTKDRHTTGAKRIPK2
SCHEMBL25201258 0.85 GAK (0.49) MAPTKDRHTTGAKRIPK2
SCHEMBL25466633 0.85 GAK (0.49) MAPTKDRHTTGAKRIPK2
SCHEMBL25468827 0.85 GAK (0.49) MAPTKDRHTTGAKRIPK2
SCHEMBL24028615 0.84 EGFR (0.63) EGFRCSF1RMAPTGRM1LCK
SCHEMBL30417165 0.84 EGFR (0.63) EGFRCSF1RMAPTGRM1LCK
SCHEMBL30416308 0.84 EGFR (0.63) EGFRCSF1RMAPTGRM1LCK

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-2023086638-A1 ENPP1 MODULATORS AND USES THEREOF Vir Biotechnology, Inc. (US) 2023-05-19 WO disclosed