SCHEMBL9023774

SCHEMBL9023774

O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P](=O)O)C[C@H]1O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 2/20 0.49
▸ P2RY2 P41231 1/20 0.47
▸ P2RY1 P47900 1/20 0.47
▸ P2RY6 Q15077 1/20 0.47
▸ SLC29A1 Q99808 1/20 0.46
▸ DNPH1 O43598 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ BMPR1B O00238 1/20 0.44
▸ ADORA1 P30542 1/20 0.44

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
SCHEMBL31160198 0.88 SLC29A1 (0.59) SLC29A1ADORA3ADORA1
SCHEMBL18496467 0.88 SLC29A1 (0.59) SLC29A1ADORA3ADORA1
SCHEMBL8889372 0.85 ADORA3 (0.47) P2RY12P2RY2P2RY1P2RY6SLC29A1
SCHEMBL8889380 0.85 ADORA3 (0.47) P2RY12P2RY2P2RY1P2RY6SLC29A1
SCHEMBL3792607 0.84 ADORA3 (0.47) P2RY12SLC29A1ADORA3BMPR1B
SCHEMBL13057654 0.81 TYMP (0.51) P2RY12ADORA3ADORA1
SCHEMBL18496453 0.81 TYMP (0.51) P2RY12ADORA3ADORA1
SCHEMBL21539900 0.79 ADORA1 (0.46) P2RY12SLC29A1ADORA3ADORA1
SCHEMBL7610296 0.79 BCHE (0.55) P2RY2P2RY1SLC29A1DNPH1ADORA3
SCHEMBL19146994 0.79 P2RY12 (0.44) P2RY12P2RY2P2RY1P2RY6SLC29A1

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
EP-0716856-A2 Therapeutic uses of 2',5'-oligoadenylate derivatives Temple University of the Commonwealth System of Higher Education (US) 1996-06-19 — — EP disclosed
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