SCHEMBL23313048

SCHEMBL23313048

COc1ccc(CNc2ncnc3c2c(Br)cn3[C@@H]2O[C@H](C=O)C[C@@H]2F)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 15/20 0.39
▸ CYP3A4 P08684 15/20 0.39
▸ CYP2C19 P33261 14/20 0.39
▸ TSHR P16473 12/20 0.39
▸ ALDH1A1 P00352 12/20 0.39
▸ CYP2D6 P10635 12/20 0.39
▸ CLK4 Q9HAZ1 8/20 0.39
▸ USP2 O75604 6/20 0.39
▸ CYP2C9 P11712 9/20 0.39
▸ HSD17B10 Q99714 8/20 0.39
▸ MAPK1 P28482 5/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ ALOX15 P16050 4/20 0.39
▸ ADORA3 P0DMS8 2/20 0.39
▸ LMNA P02545 6/20 0.39
▸ HIF1A Q16665 5/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 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
SCHEMBL30106843 0.81 CYP1A2 (0.36) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL29610876 0.79 CYP1A2 (0.39) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL24314268 0.79 CYP1A2 (0.39) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL29611607 0.78 ADORA1 (0.54) ADORA3
SCHEMBL27090409 0.78 ADORA1 (0.54) ADORA3
SCHEMBL29611653 0.77 ADORA3 (0.43) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL24313565 0.77 ADORA3 (0.43) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL24313850 0.77 PRMT5 (0.47) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL29610954 0.77 PRMT5 (0.47) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL29611468 0.77 PRMT5 (0.47) CYP1A2CYP3A4CYP2C19TSHRALDH1A1

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
WO-2021079196-A9 METTL3 MODULATORS ACCENT THERAPEUTICS, INC (US) 2022-07-14 — — WO disclosed
WO-2021079196-A2 METTL3 MODULATORS ACCENT THERAPEUTICS, INC (US) 2021-04-29 — — WO disclosed
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