SCHEMBL21376543

SCHEMBL21376543

CN(Cc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 9/20 0.60
▸ GRM1 Q13255 1/20 0.60
▸ KDM4A O75164 4/20 0.60
▸ KDM4B O94953 4/20 0.60
▸ KDM5B Q9UGL1 4/20 0.60
▸ KDM4E B2RXH2 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ MAPT P10636 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ KDM5C P41229 2/20 0.57
▸ TDP1 Q9NUW8 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ NPY5R Q15761 1/20 0.52
▸ MDM4 O15151 1/20 0.51
▸ MDM2 Q00987 1/20 0.51
▸ SMN1; SMN2 Q16637 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
SCHEMBL18230323 0.87 ADORA3 (0.79) ADORA3GRM1KDM4AKDM4BKDM5B
SCHEMBL21376789 0.84 GRM1 (0.63) ADORA3GRM1KDM4AKDM4BKDM5B
SCHEMBL29379460 0.83 KDM4A (0.64) ADORA3GRM1KDM4AKDM4BKDM5B
SCHEMBL663231 0.83 KDM4A (0.64) ADORA3GRM1KDM4AKDM4BKDM5B
SCHEMBL21376823 0.82 ADORA3 (0.58) ADORA3GRM1KDM4AKDM4BKDM5B
SCHEMBL18230436 0.79 GRM1 (0.61) ADORA3GRM1KDM4AKDM4BKDM5B
SCHEMBL18997292 0.76 GRM1 (1.00) ADORA3GRM1KDM4AKDM4BKDM5B
SCHEMBL18997298 0.76 KDM4A (0.72) ADORA3GRM1KDM4AKDM4BKDM5B
SCHEMBL18997305 0.76 ADORA3 (0.87) ADORA3GRM1KDM4AKDM4BKDM5B
SCHEMBL21376917 0.75 GRM1 (0.76) 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
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