SCHEMBL4012995

SCHEMBL4012995

CCCCNc1nc(SCCC)nc2c1nnn2[C@@H]1CC[C@@H](c2nnn[nH]2)C1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 18/20 0.54
▸ USP28 Q96RU2 1/20 0.39
▸ KDM1A O60341 1/20 0.36
▸ CYP2C9 P11712 1/20 0.34

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
SCHEMBL5128559 0.90 P2RY12 (0.42) P2RY12USP28KDM1ACYP2C9
SCHEMBL5120517 0.88 P2RY12 (0.41) P2RY12USP28KDM1ACYP2C9
SCHEMBL5124872 0.88 P2RY12 (0.43) P2RY12USP28KDM1A
SCHEMBL4011274 0.81 P2RY12 (0.69) P2RY12
SCHEMBL4228562 0.81 P2RY12 (0.69) P2RY12
SCHEMBL5115747 0.81 P2RY12 (0.62) P2RY12CYP2C9
SCHEMBL13764368 0.78 P2RY12 (0.53) P2RY12USP28
SCHEMBL4750389 0.76 P2RY12 (0.73) P2RY12
SCHEMBL4750386 0.76 P2RY12 (0.73) P2RY12
SCHEMBL13768967 0.73 P2RY12 (0.57) 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
US-7566722-B2 Triazolopyrimidine derivatives as ADP P2Y12 receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2009-07-28 — — US disclosed
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