SCHEMBL21376584

SCHEMBL21376584

CN(Sc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 9/20 0.70
▸ KDM4A O75164 5/20 0.70
▸ KDM4B O94953 5/20 0.70
▸ KDM5B Q9UGL1 5/20 0.70
▸ GRM1 Q13255 1/20 0.67
▸ KDM4E B2RXH2 3/20 0.63
▸ MAPT P10636 3/20 0.63
▸ MEN1 O00255 2/20 0.63
▸ ALDH1A1 P00352 2/20 0.63
▸ KMT2A Q03164 2/20 0.63
▸ HTT P42858 1/20 0.63
▸ KDM5C P41229 3/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ SLC2A1 P11166 1/20 0.55
▸ NPC1 O15118 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL21376917 0.93 GRM1 (0.76) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL21376508 0.92 ADORA3 (0.74) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL21376789 0.91 GRM1 (0.63) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL21376797 0.89 ADORA3 (0.60) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL21376527 0.88 ADORA3 (0.67) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL21376512 0.86 ADORA3 (0.66) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL31361484 0.81 ADORA3 (0.90) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL663246 0.81 MEN1 (0.71) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL18997292 0.81 GRM1 (1.00) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL21909785 0.80 ADORA3 (0.67) ADORA3KDM4AKDM4BKDM5BGRM1

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
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