SCHEMBL30012773

SCHEMBL30012773

O=c1[nH]c2ncncc2n1CC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 16/20 0.41
▸ GRIN2B Q13224 16/20 0.41
▸ ITGB1 P05556 1/20 0.39
▸ ITGAV P06756 1/20 0.39
▸ CALCRL Q16602 1/20 0.36
▸ METAP2 P50579 1/20 0.35
▸ CYP17A1 P05093 1/20 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
SCHEMBL31142194 0.88 GRIN1 (0.40) GRIN1GRIN2BITGB1ITGAV
SCHEMBL30012811 0.85 GRIN1 (0.40) GRIN1GRIN2BITGB1ITGAV
SCHEMBL31142195 0.83 GRIN1 (0.39) GRIN1GRIN2BITGB1ITGAV
SCHEMBL31142199 0.80 GRIN1 (0.39) GRIN1GRIN2BITGB1ITGAV
SCHEMBL30110608 0.77 ADORA2A (0.49) GRIN1GRIN2BITGB1ITGAV
SCHEMBL23202176 0.76 LMNA (0.37) GRIN1GRIN2BMETAP2
SCHEMBL31142188 0.76 GRIN1 (0.52) GRIN1GRIN2BITGB1ITGAV
SCHEMBL30012916 0.76 ADORA3 (0.50) GRIN1GRIN2BITGB1ITGAV
SCHEMBL30012911 0.76 ADORA3 (0.50) GRIN1GRIN2BITGB1ITGAV
SCHEMBL31142184 0.74 GRIN1 (0.58) GRIN1GRIN2B

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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