SCHEMBL25465684

SCHEMBL25465684

COc1ccc2c(Oc3ccc([S@](=N)(=O)NCC4CC4)cc3)ccnc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.47
MET P08581 5/20 0.47
AURKA O14965 4/20 0.47
TEK Q02763 4/20 0.47
AURKB Q96GD4 2/20 0.45
LCK P06239 1/20 0.45
ENPP3 O14638 1/20 0.44
ENPP1 P22413 1/20 0.44
FGFR2 P21802 1/20 0.43
CSF1R P07333 5/20 0.42
PDGFRB P09619 5/20 0.42
PDGFRA P16234 4/20 0.41
HTR1A P08908 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
KIT P10721 2/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL24028624 1.00 KDR (0.47) KDRMETAURKATEKAURKB
SCHEMBL24028651 0.97 KDR (0.45) KDRMETAURKATEKAURKB
SCHEMBL24028874 0.91 MET (0.42) KDRMETAURKATEKAURKB
SCHEMBL24028648 0.88 MET (0.43) KDRMETAURKATEKAURKB
SCHEMBL24028348 0.88 MET (0.43) KDRMETAURKATEKAURKB
SCHEMBL24028350 0.88 MET (0.43) KDRMETAURKATEKAURKB
SCHEMBL24028342 0.88 KDR (0.46) KDRMETAURKATEKAURKB
SCHEMBL24028343 0.86 KDR (0.48) KDRMETAURKATEKAURKB
SCHEMBL25465678 0.86 KDR (0.48) KDRMETAURKATEKAURKB
SCHEMBL24028631 0.86 KDR (0.53) KDRMETAURKATEKAURKB

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