SCHEMBL29987232

SCHEMBL29987232

COc1cc(COc2ccc3c(c2)CN(c2ccc(=O)n(C)n2)C3=O)ncc1F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 2/20 0.37
▸ CSNK1A1 P48729 2/20 0.37
▸ CSNK1D P48730 2/20 0.37
▸ GSK3B P49841 2/20 0.37
▸ CSNK1G2 P78368 2/20 0.37
▸ PRMT5 O14744 1/20 0.35
▸ WDR77 Q9BQA1 1/20 0.35
▸ DRD1 P21728 1/20 0.35
▸ GRM5 P41594 2/20 0.34
▸ AOC3 Q16853 2/20 0.34
▸ EGFR P00533 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ NR1H4 Q96RI1 1/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ FGFR2 P21802 1/20 0.32
▸ FGFR4 P22455 1/20 0.32
▸ FGFR3 P22607 1/20 0.32

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
SCHEMBL24667432 1.00 PIK3CG (0.37) PIK3CGCSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL24667650 0.93 PIK3CG (0.39) PIK3CGCSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL29987525 0.93 PIK3CG (0.39) PIK3CGCSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL29986702 0.89 NR1H4 (0.37) PIK3CGPRMT5WDR77GRM5NR1H4
SCHEMBL24667426 0.89 NR1H4 (0.37) PIK3CGPRMT5WDR77GRM5NR1H4
SCHEMBL24667346 0.88 GRM5 (0.42) PIK3CGPRMT5WDR77GRM5
SCHEMBL29987375 0.88 GRM5 (0.42) PIK3CGPRMT5WDR77GRM5
SCHEMBL24667652 0.88 NR1H4 (0.37) PIK3CGCSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL29987872 0.88 NR1H4 (0.37) PIK3CGCSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL24667586 0.87 PRMT5 (0.45) PRMT5WDR77GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4320114-A1 ISOINDOLINONE COMPOUNDS AND IMAGING AGENTS FOR IMAGING HUNTINGTIN PROTEIN CHDI Foundation, Inc. (US) 2024-02-14 — — EP disclosed
CN-117412960-A Isoindolinone compounds and imaging agents for imaging huntingtin CHDI基金会股份有限公司 2024-01-16 — — CN disclosed
WO-2022216947-A1 ISOINDOLINONE COMPOUNDS AND IMAGING AGENTS FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. (US) 2022-10-13 — — WO disclosed
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