SCHEMBL30110633

SCHEMBL30110633

CC(=O)Nc1ncc2c(n1)[nH]c(=O)n2CC1CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 11/20 0.48
▸ GRIN2B Q13224 11/20 0.48
▸ MTOR P42345 5/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ HTR1D P28221 1/20 0.41
▸ HTR1B P28222 1/20 0.41
▸ HTR1F P30939 1/20 0.41
▸ MAP3K11 Q16584 2/20 0.41
▸ PIK3CA P42336 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL23393003 1.00 GRIN1 (0.48) GRIN1GRIN2BMTORHTR1AHTR1D
SCHEMBL23202362 0.80 GRIN1 (0.51) GRIN1GRIN2BMTORMAP3K11MEN1
SCHEMBL30011997 0.80 GRIN1 (0.51) GRIN1GRIN2BMTORMAP3K11MEN1
SCHEMBL30110524 0.80 ADORA3 (0.42) GRIN1GRIN2BHTR1AHTR1DHTR1B
SCHEMBL23202127 0.80 ADORA3 (0.42) GRIN1GRIN2BHTR1AHTR1DHTR1B
SCHEMBL30012695 0.79 GRIN1 (0.46) GRIN1GRIN2BMTORMAP3K11PIK3CA
SCHEMBL23449268 0.78 BTK (0.41) MTORHTR1AHTR1DHTR1BHTR1F
SCHEMBL23392970 0.71 ALDH1A1 (0.39) GRIN1GRIN2BMTORMAP3K11PIK3CA
SCHEMBL721924 0.69 GRIN1 (0.64) GRIN1GRIN2BMAP3K11MEN1ALDH1A1
SCHEMBL23507984 0.66 GRIN1 (0.70) GRIN1GRIN2BMTOR

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
CN-115427063-A TLR7 agonists 普利缪尼治疗学股份有限公司 2022-12-02 — — CN disclosed
Send feedback