SCHEMBL7000586

SCHEMBL7000586

CCCSc1nc(NCCc2ccccc2)c2nnn([C@@H]3CC[C@@H](O)[C@H]3O)c2n1.CCNC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 18/20 0.61
▸ USP28 Q96RU2 1/20 0.40
▸ NAE1 Q13564 1/20 0.40
▸ UBA3 Q8TBC4 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
Bicarbonate SCHEMBL7510618 0.94 P2RY12 (0.65) P2RY12USP28NAE1UBA3
Carbamic Acid SCHEMBL7514943 0.93 P2RY12 (0.64) P2RY12USP28NAE1UBA3
SCHEMBL7001051 0.90 P2RY12 (0.56) P2RY12USP28
Bicarbonate SCHEMBL7511337 0.89 P2RY12 (0.63) P2RY12USP28NAE1UBA3
SCHEMBL7510820 0.89 P2RY12 (0.57) P2RY12NAE1UBA3
SCHEMBL6997872 0.89 P2RY12 (0.68) P2RY12
Bicarbonate SCHEMBL7509039 0.88 P2RY12 (0.58) P2RY12USP28
SCHEMBL6997873 0.88 P2RY12 (0.57) P2RY12
SCHEMBL7512199 0.87 P2RY12 (0.59) P2RY12USP28
SCHEMBL6990478 0.86 P2RY12 (0.59) 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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