SCHEMBL11055621

SCHEMBL11055621

N#CCCOP(=O)(Oc1ccc(Cl)cc1)O[C@H]1C[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O[C@@H]1CO

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 6/20 0.40
▸ POLB P06746 1/20 0.39
▸ ADORA1 P30542 4/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADORA2A P29274 1/20 0.39

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
SCHEMBL17860588 0.88 ADORA1 (0.40) P2RY12POLBADORA1
SCHEMBL4727404 0.84 ADORA1 (0.46) POLBADORA1
SCHEMBL4727394 0.84 ADORA1 (0.46) POLBADORA1
SCHEMBL18521449 0.82 ADORA1 (0.43) POLBADORA1
SCHEMBL17860496 0.82 TYMP (0.42) P2RY12ADORA1
SCHEMBL15786368 0.81 P2RY12 (0.42) P2RY12POLB
SCHEMBL17860563 0.80 TYMP (0.40) P2RY12POLBADORA1
SCHEMBL20691331 0.80 P2RY12 (0.38) P2RY12POLBADORA1
SCHEMBL11142359 0.79 KDM4E (0.60) POLB
SCHEMBL24354785 0.78 P2RY12 (0.38) P2RY12ADORA1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4426517-A Process for de-cyanoethylating blocked nucleotides ELI LILLY AND COMPANY (US) 1984-01-17 — — US disclosed
US-4419509-A Process for de-cyanoethylating blocked nucleotides ELI LILLY AND COMPANY (US) 1983-12-06 — — US disclosed
EP-0075392-A1 Process for de-cyanoethylating blocked nucleotides ELI LILLY AND COMPANY (US) 1983-03-30 — — EP disclosed
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