SCHEMBL29611556

SCHEMBL29611556

COc1ccc(CNc2ncnc3c2c(Br)cn3[C@@H]2C[C@H](C(=O)NC3CCN(C)CC3)[C@H]3OC(C)(C)O[C@H]32)c(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 1/20 0.38
▸ METTL3 Q86U44 1/20 0.38
▸ WDR77 Q9BQA1 1/20 0.38
▸ ADORA3 P0DMS8 2/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CYP1A2 P05177 7/20 0.35
▸ CYP3A4 P08684 7/20 0.35
▸ CYP2C19 P33261 7/20 0.35
▸ ALDH1A1 P00352 6/20 0.34
▸ MAPK1 P28482 5/20 0.34
▸ CYP2D6 P10635 5/20 0.34
▸ CLK4 Q9HAZ1 5/20 0.34
▸ HSD17B10 Q99714 4/20 0.34
▸ USP2 O75604 4/20 0.34
▸ LMNA P02545 3/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ IKBKB O14920 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ PAK4 O96013 1/20 0.34

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
SCHEMBL24314273 1.00 PRMT5 (0.38) PRMT5METTL3WDR77ADORA3MEN1
SCHEMBL24314269 0.89 METTL3 (0.51) PRMT5METTL3WDR77
SCHEMBL29610949 0.89 METTL3 (0.51) PRMT5METTL3WDR77
SCHEMBL29610818 0.89 ADORA3 (0.40) PRMT5METTL3WDR77ADORA3
SCHEMBL24313535 0.89 ADORA3 (0.40) PRMT5METTL3WDR77ADORA3
SCHEMBL24314265 0.89 CYP1A2 (0.38) ADORA3MEN1KMT2ACYP1A2CYP3A4
SCHEMBL29610884 0.89 CYP1A2 (0.38) ADORA3MEN1KMT2ACYP1A2CYP3A4
SCHEMBL24314268 0.83 CYP1A2 (0.39) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL29610876 0.83 CYP1A2 (0.39) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL24314272 0.81 CYP1A2 (0.36) ADORA3MEN1KMT2ACYP1A2CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4229067-A1 METTL3 MODULATORS Accent Therapeutics, Inc. (US) 2023-08-23 — — EP disclosed
WO-2022081739-A1 METTL3 MODULATORS ACCENT THERAPEUTICS, INC. (US) 2022-04-21 — — WO disclosed
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