SCHEMBL21376512

SCHEMBL21376512

COc1ccccc1N(C)Sc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.66
GRM1 Q13255 1/20 0.61
KDM4A O75164 3/20 0.61
KDM4B O94953 3/20 0.61
KDM5B Q9UGL1 3/20 0.61
KDM4E B2RXH2 2/20 0.58
MAPT P10636 2/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
HTT P42858 1/20 0.58
KMT2A Q03164 1/20 0.58
KDM5C P41229 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
SLC2A1 P11166 1/20 0.51
NPC1 O15118 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL21376584 0.86 ADORA3 (0.70) ADORA3GRM1KDM4AKDM4BKDM5B
SCHEMBL21376614 0.85 ADORA3 (0.63) ADORA3GRM1KDM4AKDM4BKDM5B
SCHEMBL21376527 0.84 ADORA3 (0.67) ADORA3GRM1KDM4AKDM4BKDM5B
SCHEMBL29978071 0.84 SMN1; SMN2 (0.74) ADORA3GRM1KDM4AKDM4BKDM5B
SCHEMBL665201 0.84 SMN1; SMN2 (0.74) ADORA3GRM1KDM4AKDM4BKDM5B
SCHEMBL21376917 0.83 GRM1 (0.76) ADORA3GRM1KDM4AKDM4BKDM5B
SCHEMBL21376508 0.83 ADORA3 (0.74) ADORA3GRM1KDM4AKDM4BKDM5B
SCHEMBL21376789 0.81 GRM1 (0.63) ADORA3GRM1KDM4AKDM4BKDM5B
SCHEMBL21376797 0.79 ADORA3 (0.60) ADORA3GRM1KDM4AKDM4BKDM5B
SCHEMBL31361475 0.79 ADORA3 (0.81) ADORA3GRM1KDM4AKDM4BKDM5B

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
EP-2403499-B1 METHODS AND COMPOSITIONS FOR USE IN TREATING CANCER AND REDUCING WNT MEDIATED EFFECTS IN A CELL STEMSYNERGY THERAPEUTICS INC (US) 2019-09-18 EP disclosed