SCHEMBL29987869

SCHEMBL29987869

COc1cnc(COc2ccc3c(c2)CN(c2ccc(=O)n(C)n2)C3=O)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 2/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ GPR84 Q9NQS5 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ MCHR1 Q99705 3/20 0.34
▸ AOC3 Q16853 2/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.33
▸ MELK Q14680 1/20 0.33
▸ NR1H4 Q96RI1 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ FGFR2 P21802 1/20 0.33
▸ FGFR3 P22607 1/20 0.33
▸ HTR2C P28335 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
SCHEMBL24667584 1.00 PIK3CG (0.36) PIK3CGNPC1PKMRAB9AGPR84
SCHEMBL24667402 0.88 MCHR1 (0.33) GPR84GRM5MCHR1PDE10AHRH3
SCHEMBL29986580 0.88 MCHR1 (0.33) GPR84GRM5MCHR1PDE10AHRH3
SCHEMBL29987375 0.85 GRM5 (0.42) PIK3CGNPC1PKMRAB9AGRM5
SCHEMBL24667346 0.85 GRM5 (0.42) PIK3CGNPC1PKMRAB9AGRM5
SCHEMBL24667650 0.83 PIK3CG (0.39) PIK3CGGRM5AOC3NR1H4FGFR1
SCHEMBL29987525 0.83 PIK3CG (0.39) PIK3CGGRM5AOC3NR1H4FGFR1
SCHEMBL24667432 0.83 PIK3CG (0.37) PIK3CGGRM5AOC3NR1H4FGFR1
SCHEMBL29987232 0.83 PIK3CG (0.37) PIK3CGGRM5AOC3NR1H4FGFR1
SCHEMBL24667588 0.82 NPC1 (0.44) NPC1PKMRAB9APDE10AMELK

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
Send feedback