SCHEMBL7002904

SCHEMBL7002904

CCCCNc1nc(SCCC)nc2c1nnn2[C@@H]1CC[C@@H](O)[C@H]1O.CN(Cc1cccnc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 18/20 0.55
▸ USP28 Q96RU2 1/20 0.36

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
SCHEMBL7003219 0.89 P2RY12 (0.57) P2RY12USP28
SCHEMBL6999847 0.86 P2RY12 (0.66) P2RY12
SCHEMBL6999851 0.86 P2RY12 (0.66) P2RY12
SCHEMBL6999351 0.85 P2RY12 (0.58) P2RY12USP28
Carbamic Acid SCHEMBL7511690 0.84 P2RY12 (0.72) P2RY12USP28
Bicarbonate SCHEMBL7510959 0.84 P2RY12 (0.73) P2RY12USP28
Bicarbonate SCHEMBL7511337 0.82 P2RY12 (0.63) P2RY12USP28
SCHEMBL6988807 0.82 P2RY12 (0.60) P2RY12USP28
Carbamic Acid SCHEMBL7514943 0.81 P2RY12 (0.64) P2RY12USP28
SCHEMBL6997872 0.80 P2RY12 (0.68) P2RY12

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-1056749-B1 NOVEL TRIAZOLO(4,5-d)PYRIMIDINE COMPOUNDS ASTRAZENECA UK LTD (GB) 2003-02-19 — — EP claimed
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