SCHEMBL7077149

SCHEMBL7077149

Cn1cncc1-n1cc2ncnc-2nc1N

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.31
▸ PDPK1 O15530 1/20 0.30

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
SCHEMBL7071992 0.77 PIK3CD (0.31) —
SCHEMBL899400 0.74 ADORA2A (0.32) —
SCHEMBL7072307 0.70 — —
SCHEMBL7073225 0.67 ADORA3 (0.30) —
SCHEMBL4440111 0.66 MAPT (0.46) —
SCHEMBL15544686 0.65 TLR8 (0.44) —
SCHEMBL7070793 0.65 ADORA2A (0.35) —
SCHEMBL574806 0.60 LTA4H (0.39) HPGDS
SCHEMBL3269209 0.59 HPGDS (0.38) HPGDSPDPK1
SCHEMBL8660614 0.59 MAOA (0.33) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1349857-A1 PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2003-10-08 — — EP disclosed
WO-2002055521-A1 PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2002-07-18 — — WO disclosed
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