SCHEMBL19941990

SCHEMBL19941990

CC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](C)[C@@H]1CNCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.53
▸ AHCY P23526 2/20 0.51
▸ CARM1 Q86X55 3/20 0.51
▸ DOT1L Q8TEK3 3/20 0.49
▸ ADORA1 P30542 2/20 0.47
▸ ADORA3 P0DMS8 2/20 0.46
▸ EHMT1 Q9H9B1 1/20 0.46
▸ DPP4 P27487 1/20 0.45

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
SCHEMBL19941882 0.85 ATM (0.48) ATMAHCYCARM1DOT1LADORA1
SCHEMBL12740454 0.83 ADORA3 (0.57) AHCYDOT1LADORA1ADORA3EHMT1
SCHEMBL6900816 0.81 ATM (0.76) ATMAHCYCARM1DOT1LADORA1
SCHEMBL19941881 0.80 AHCY (0.61) AHCYCARM1DOT1LADORA1ADORA3
SCHEMBL9940469 0.79 PI4KA (0.67) ATMAHCYCARM1DOT1LADORA3
SCHEMBL9940477 0.79 PI4KA (0.67) ATMAHCYCARM1DOT1LADORA3
SCHEMBL15395696 0.79 PI4KA (0.67) ATMAHCYCARM1DOT1LADORA3
SCHEMBL14030736 0.78 ADORA3 (0.59) AHCYDOT1LADORA1ADORA3EHMT1
SCHEMBL13449217 0.78 ADORA3 (0.59) AHCYDOT1LADORA1ADORA3EHMT1
SCHEMBL13239706 0.76 ADORA3 (0.66) ADORA3

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
WO-2018045204-A1 CYCLIC DINUCLEOTIDE ANALOGS FOR TREATING CONDITIONS ASSOCIATED WITH STING (STIMULATOR OF INTERFERON GENES) ACTIVITY IFM THERAPEUTICS, INC (US) 2018-03-08 — — WO disclosed
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