SCHEMBL30149859

SCHEMBL30149859

COc1ccc(-c2nc(C#Cc3ccccc3C#N)nc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 11/20 0.73
▸ CDK1 P06493 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ ADORA2A P29274 1/20 0.45
▸ ADORA2B P29275 1/20 0.45
▸ CTSS P25774 3/20 0.43
▸ CTSK P43235 3/20 0.43
▸ CTSL P07711 2/20 0.43
▸ CTSB P07858 1/20 0.43
▸ GALR2 O43603 1/20 0.43
▸ DHFR P00374 1/20 0.42
▸ SCN9A Q15858 1/20 0.41

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
SCHEMBL28929980 0.89 CHRNA7 (0.74) CHRNA7GALR2DHFR
SCHEMBL28929959 0.87 CHRNA7 (0.74) CHRNA7CTSSCTSKCTSLCTSB
SCHEMBL28929972 0.85 CHRNA7 (1.00) CHRNA7CTSSCTSKCTSLCTSB
SCHEMBL28929961 0.82 CHRNA7 (0.76) CHRNA7GALR2DHFR
SCHEMBL28929967 0.82 CHRNA7 (0.76) CHRNA7GALR2DHFR
SCHEMBL30149846 0.82 CHRNA7 (0.72) CHRNA7GALR2DHFR
SCHEMBL28929982 0.82 CHRNA7 (0.72) CHRNA7GALR2DHFR
SCHEMBL28929963 0.81 CHRNA7 (0.78) CHRNA7GALR2
SCHEMBL30149855 0.78 CHRNA7 (1.00) CHRNA7GALR2DHFR
SCHEMBL28929968 0.77 CHRNA7 (1.00) CHRNA7GALR2DHFRSCN9A

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-115554302-A Application of 6-phenyl-triazine-2-amine compound in preparation of medicine for improving cognitive disorder of nervous system 北京大学 2023-01-03 — — CN disclosed
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