SCHEMBL30012916

SCHEMBL30012916

C#CCn1c(=O)[nH]c2ncncc21

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 3/20 0.50
▸ ADORA2B P29275 3/20 0.50
▸ ITGB1 P05556 1/20 0.35
▸ ITGAV P06756 1/20 0.35
▸ GRIN1 Q05586 9/20 0.34
▸ GRIN2B Q13224 9/20 0.34

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
SCHEMBL30012911 1.00 ADORA3 (0.50) ADORA3ADORA2BITGB1ITGAVGRIN1
SCHEMBL30011489 0.79 ADORA2B (0.48) ADORA3ADORA2BGRIN1GRIN2B
SCHEMBL23202404 0.79 ADORA2B (0.48) ADORA3ADORA2BGRIN1GRIN2B
SCHEMBL30110608 0.77 ADORA2A (0.49) ADORA3ADORA2BITGB1ITGAVGRIN1
SCHEMBL30012773 0.76 GRIN1 (0.41) ITGB1ITGAVGRIN1GRIN2B
SCHEMBL31142188 0.76 GRIN1 (0.52) ADORA3ADORA2BITGB1ITGAVGRIN1
SCHEMBL31142194 0.74 GRIN1 (0.40) ITGB1ITGAVGRIN1GRIN2B
SCHEMBL30110629 0.74 GRIN1 (0.44) ADORA2BITGB1ITGAVGRIN1GRIN2B
SCHEMBL30012811 0.74 GRIN1 (0.40) ITGB1ITGAVGRIN1GRIN2B
SCHEMBL31392649 0.73 ADORA3 (0.42) ADORA3ADORA2BGRIN1GRIN2B

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
EP-4065155-A1 TLR7 AGONISTS Primmune Therapeutics, Inc. (US) 2022-10-05 — — EP disclosed
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