SCHEMBL7507775

SCHEMBL7507775

CCCCNc1nc(SCCC)nc2c1nnn2[C@@H]1C[C@H](C(N)=O)[C@H]2OC(C)(C)O[C@H]21

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 19/20 0.73
▸ USP28 Q96RU2 1/20 0.42

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
SCHEMBL7515643 0.93 P2RY12 (0.73) P2RY12USP28
SCHEMBL7516295 0.92 P2RY12 (0.64) P2RY12USP28
SCHEMBL7996482 0.92 P2RY12 (0.64) P2RY12USP28
SCHEMBL7515270 0.90 P2RY12 (0.61) P2RY12USP28
SCHEMBL7510370 0.89 P2RY12 (0.64) P2RY12USP28
SCHEMBL7511742 0.88 P2RY12 (0.60) P2RY12USP28
SCHEMBL7489214 0.87 P2RY12 (0.63) P2RY12USP28
SCHEMBL7002344 0.86 P2RY12 (0.72) P2RY12USP28
SCHEMBL7510502 0.86 P2RY12 (0.57) P2RY12USP28
SCHEMBL7003996 0.86 P2RY12 (0.61) P2RY12USP28

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946561-B1 TRIAZOLO(4,5-D)PYRIMIDINYL DERIVATIVES AND THEIR USE AS MEDICAMENTS ASTRAZENECA AB (SE) 2002-02-13 — — EP disclosed
US-6297232-B1 TREATMENT OF PLATELET AGGREGATION DISORDERS. ASTRAZENECA AB (SE) 2001-10-02 — — US disclosed
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