SCHEMBL25465601

SCHEMBL25465601

COc1cc2nccc(Nc3ccc([S@](=N)(=O)NC[C@@H](C)O)cc3)c2cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.54
PDGFRA P16234 1/20 0.53
GAK O14976 6/20 0.50
SRC P12931 3/20 0.50
RIPK2 O43353 2/20 0.50
COQ8A Q8NI60 2/20 0.50
NLK Q9UBE8 2/20 0.50
BMPR1B O00238 1/20 0.50
EPHB6 O15197 1/20 0.50
ABL1 P00519 1/20 0.50
LCK P06239 1/20 0.50
EPHA1 P21709 1/20 0.50
EPHA8 P29322 1/20 0.50
ACVR1 Q04771 1/20 0.50
MAP2K5 Q13163 1/20 0.50
MET P08581 3/20 0.43
AXL P30530 3/20 0.43
KDR P35968 1/20 0.43
FGFR2 P21802 3/20 0.42
PDE5A O76074 1/20 0.42

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
SCHEMBL25464971 1.00 EGFR (0.54) EGFRPDGFRAGAKSRCRIPK2
SCHEMBL25468866 0.93 PDGFRA (0.46) EGFRPDGFRAGAKSRCRIPK2
SCHEMBL25466677 0.88 GAK (0.49) PDGFRAGAKRIPK2COQ8ANLK
SCHEMBL30417135 0.88 GAK (0.49) PDGFRAGAKRIPK2COQ8ANLK
SCHEMBL25464965 0.88 GAK (0.49) PDGFRAGAKRIPK2COQ8ANLK
SCHEMBL25466633 0.88 GAK (0.49) PDGFRAGAKRIPK2COQ8ANLK
SCHEMBL25201258 0.88 GAK (0.49) PDGFRAGAKRIPK2COQ8ANLK
SCHEMBL25468827 0.88 GAK (0.49) PDGFRAGAKRIPK2COQ8ANLK
SCHEMBL25465686 0.84 HTR1A (0.47) PDGFRAGAK
SCHEMBL24028612 0.83 EGFR (0.54) EGFRPDGFRAGAKSRCRIPK2

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