SCHEMBL29772309

SCHEMBL29772309

COc1ccc(CNc2ncnc3c2c(-c2ccn(C)n2)cn3[C@@H]2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 15/20 0.38
▸ CYP3A4 P08684 15/20 0.38
▸ CYP2C19 P33261 15/20 0.38
▸ METTL3 Q86U44 3/20 0.38
▸ CYP2D6 P10635 13/20 0.38
▸ TSHR P16473 12/20 0.38
▸ ALDH1A1 P00352 10/20 0.38
▸ CLK4 Q9HAZ1 8/20 0.38
▸ USP2 O75604 6/20 0.38
▸ CYP2C9 P11712 8/20 0.37
▸ HSD17B10 Q99714 7/20 0.37
▸ LMNA P02545 4/20 0.37
▸ PRMT5 O14744 2/20 0.37
▸ WDR77 Q9BQA1 2/20 0.37
▸ MAPK1 P28482 6/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALOX15 P16050 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36

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
SCHEMBL25015920 0.88 METTL3 (0.38) CYP1A2CYP3A4CYP2C19METTL3CYP2D6
SCHEMBL29772290 0.88 METTL3 (0.37) CYP1A2CYP3A4CYP2C19METTL3CYP2D6
SCHEMBL30106842 0.88 METTL3 (0.37) CYP1A2CYP3A4CYP2C19METTL3CYP2D6
SCHEMBL23313891 0.88 METTL3 (0.37) CYP1A2CYP3A4CYP2C19METTL3CYP2D6
SCHEMBL29772286 0.87 METTL3 (0.39) CYP1A2CYP3A4CYP2C19METTL3CYP2D6
SCHEMBL25016861 0.87 METTL3 (0.39) CYP1A2CYP3A4CYP2C19METTL3CYP2D6
SCHEMBL30060440 0.86 METTL3 (0.42) CYP1A2CYP3A4CYP2C19METTL3CYP2D6
SCHEMBL29772302 0.86 METTL3 (0.36) CYP1A2CYP3A4CYP2C19METTL3CYP2D6
SCHEMBL30058699 0.86 METTL3 (0.41) CYP1A2CYP3A4CYP2C19METTL3CYP2D6
SCHEMBL25016859 0.83 METTL3 (0.37) CYP1A2CYP3A4CYP2C19METTL3CYP2D6

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-2021079196-A9 METTL3 MODULATORS ACCENT THERAPEUTICS, INC (US) 2022-07-14 — — WO disclosed
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