SCHEMBL24314227

SCHEMBL24314227

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

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 6/20 0.44
▸ ADORA2A P29274 1/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ PI4KA P42356 1/20 0.42
▸ PI4K2B Q8TCG2 1/20 0.42
▸ PI4K2A Q9BTU6 1/20 0.42
▸ PI4KB Q9UBF8 1/20 0.42
▸ HTR2B P41595 3/20 0.39
▸ SIGMAR1 Q99720 3/20 0.39
▸ TMEM97 Q5BJF2 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ HTR1D P28221 1/20 0.39

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
SCHEMBL23273892 0.91 ADORA3 (0.44) ADORA3ADORA2AADORA1PI4KAPI4K2B
SCHEMBL24314224 0.88 ADORA3 (0.43) ADORA3ADORA2AUSP2ALDH1A1CYP1A2
SCHEMBL23312996 0.88 ADORA3 (0.42) ADORA3ADORA2AADORA1PI4KAPI4K2B
SCHEMBL9109338 0.86 ADORA3 (0.46) ADORA3ADORA2AADORA1PI4KAPI4K2B
SCHEMBL23273891 0.85 ADORA3 (0.40) ADORA3ADORA2AADORA1PI4KAPI4K2B
SCHEMBL24313539 0.80 CYP1A2 (0.36) ADORA3ADORA2AADORA1USP2ALDH1A1
SCHEMBL24313864 0.79 ADORA3 (0.43) ADORA3USP2ALDH1A1CYP1A2CYP3A4
SCHEMBL24313565 0.79 ADORA3 (0.43) ADORA3ADORA2AUSP2ALDH1A1CYP1A2
SCHEMBL29611653 0.79 ADORA3 (0.43) ADORA3ADORA2AUSP2ALDH1A1CYP1A2
SCHEMBL29610857 0.79 ADORA3 (0.43) ADORA3USP2ALDH1A1CYP1A2CYP3A4

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
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