SCHEMBL6996910

SCHEMBL6996910

CCCSc1nc(NC2CC2)c2nnn([C@@H]3CC[C@@H](O)[C@H]3O)c2n1.CCNC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 19/20 0.63
▸ CYP2C9 P11712 1/20 0.41

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 SCHEMBL7507037 0.94 P2RY12 (0.68) P2RY12CYP2C9
Carbamic Acid SCHEMBL7510846 0.92 P2RY12 (0.66) P2RY12CYP2C9
SCHEMBL5728838 0.92 P2RY12 (0.70) P2RY12CYP2C9
SCHEMBL5728835 0.92 P2RY12 (0.70) P2RY12CYP2C9
SCHEMBL6997872 0.88 P2RY12 (0.68) P2RY12
SCHEMBL6999327 0.84 P2RY12 (0.50) P2RY12
SCHEMBL7000586 0.84 P2RY12 (0.61) P2RY12
SCHEMBL6990249 0.83 P2RY12 (0.63) P2RY12
SCHEMBL7000421 0.82 P2RY12 (0.64) P2RY12
SCHEMBL7000427 0.82 P2RY12 (0.64) 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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