SCHEMBL19146994

SCHEMBL19146994

N#CCCOP(N)(=S)OC[C@@H]1C[C@@H](O)[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 3/20 0.44
▸ P2RY2 P41231 1/20 0.43
▸ P2RY1 P47900 1/20 0.43
▸ P2RY6 Q15077 1/20 0.43
▸ DNPH1 O43598 2/20 0.42
▸ NT5E P21589 1/20 0.40
▸ SLC29A1 Q99808 1/20 0.40
▸ PRMT6 Q96LA8 1/20 0.40

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
SCHEMBL19146858 0.87 P2RY12 (0.52) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL19146240 0.83 P2RY12 (0.45) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL19146392 0.81 P2RY12 (0.42) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL20026293 0.81 P2RY12 (0.43) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL18496467 0.80 SLC29A1 (0.59) SLC29A1
SCHEMBL31160198 0.80 SLC29A1 (0.59) SLC29A1
SCHEMBL20353076 0.79 P2RY12 (0.45) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL19145868 0.79 P2RY12 (0.40) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL9023774 0.79 P2RY12 (0.49) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL19146535 0.78 ADORA1 (0.37) P2RY12P2RY2P2RY1P2RY6PRMT6

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-2017123669-A1 CYCLIC DINUCLEOTIDES FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY SUCH AS CANCER GLICK GARY (US) 2017-07-20 — — WO disclosed
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