SCHEMBL4235045

SCHEMBL4235045

CCCSc1nc(NCC(F)(F)F)c2ncn([C@@H]3C[C@H](c4nnc(C)[nH]4)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 17/20 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
SCHEMBL4012980 0.87 P2RY12 (0.53) P2RY12
SCHEMBL13768795 0.77 P2RY12 (0.57) P2RY12
SCHEMBL4049810 0.75 P2RY12 (0.69) P2RY12
SCHEMBL4013485 0.75 P2RY12 (0.69) P2RY12
SCHEMBL4013081 0.75 P2RY12 (0.58) P2RY12
SCHEMBL4012272 0.74 P2RY12 (0.53) P2RY12
SCHEMBL8426592 0.72 ADORA3 (0.59) P2RY12
SCHEMBL8426596 0.72 ADORA3 (0.59) P2RY12
SCHEMBL4011332 0.72 P2RY12 (0.55) P2RY12
SCHEMBL4011335 0.72 P2RY12 (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081433-A2 TRIAZOLOPYRIMIDINE DERIVATIVES AS ADP P2Y12 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2009-07-29 — — EP disclosed
WO-2008054795-A2 TRIAZOLOPYRIMIDINE DERIVATIVES AS ADP P2Y12 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-05-08 — — WO disclosed
Send feedback