SCHEMBL24314224

SCHEMBL24314224

Bc1cn([C@@H]2O[C@H](C(=O)O)[C@H]3OC(C)(C)O[C@H]32)c2ncnc(NCc3ccc(OC)cc3OC)c12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 4/20 0.43
▸ CYP1A2 P05177 10/20 0.38
▸ CYP3A4 P08684 10/20 0.38
▸ CYP2C19 P33261 10/20 0.38
▸ CYP2D6 P10635 8/20 0.38
▸ CLK4 Q9HAZ1 7/20 0.38
▸ ALDH1A1 P00352 7/20 0.38
▸ HSD17B10 Q99714 6/20 0.38
▸ USP2 O75604 4/20 0.38
▸ LMNA P02545 4/20 0.38
▸ MAPK1 P28482 4/20 0.38
▸ TSHR P16473 6/20 0.38
▸ CYP2C9 P11712 5/20 0.37
▸ ADORA2A P29274 2/20 0.37
▸ ADORA2B P29275 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HIF1A Q16665 2/20 0.37
▸ ALOX15 P16050 1/20 0.37

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
SCHEMBL29611653 0.91 ADORA3 (0.43) ADORA3CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL24313565 0.91 ADORA3 (0.43) ADORA3CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL29610994 0.89 ADORA3 (0.42) ADORA3CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL24313866 0.89 ADORA3 (0.42) ADORA3CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL24314227 0.88 ADORA3 (0.44) ADORA3CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL29610846 0.87 METTL3 (0.48) ADORA3
SCHEMBL24313506 0.87 METTL3 (0.48) ADORA3
SCHEMBL29610857 0.85 ADORA3 (0.43) ADORA3CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL24313864 0.85 ADORA3 (0.43) ADORA3CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL24313865 0.84 CYP1A2 (0.43) ADORA3CYP1A2CYP3A4CYP2C19CYP2D6

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-2022081739-A1 METTL3 MODULATORS ACCENT THERAPEUTICS, INC. (US) 2022-04-21 — — WO disclosed
Send feedback