SCHEMBL19941882

SCHEMBL19941882

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

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.48
▸ ADORA1 P30542 2/20 0.47
▸ CARM1 Q86X55 4/20 0.47
▸ AHCY P23526 3/20 0.46
▸ DOT1L Q8TEK3 4/20 0.46
▸ NT5E P21589 1/20 0.43
▸ P2RY12 Q9H244 1/20 0.42

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
SCHEMBL26808212 0.88 ADORA1 (0.50) ADORA1AHCYDOT1LNT5EP2RY12
SCHEMBL26808329 0.88 ADORA1 (0.50) ADORA1AHCYDOT1LNT5EP2RY12
SCHEMBL19941990 0.85 ATM (0.53) ATMADORA1CARM1AHCYDOT1L
SCHEMBL26808538 0.82 ADORA1 (0.49) ADORA1AHCYDOT1LNT5EP2RY12
SCHEMBL19146234 0.81 ADORA1 (0.51) ADORA1AHCYDOT1L
SCHEMBL26808467 0.80 ADORA1 (0.49) ADORA1AHCYDOT1L
SCHEMBL25496503 0.79 ADORA1 (0.57) ADORA1AHCYDOT1L
SCHEMBL15087031 0.79 ADORA1 (0.57) ADORA1AHCYDOT1L
SCHEMBL15087043 0.79 ADORA1 (0.57) ADORA1AHCYDOT1L
SCHEMBL15087047 0.79 ADORA1 (0.57) ADORA1AHCYDOT1L

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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