SCHEMBL5266183

SCHEMBL5266183

CCc1cc2c(N3CCN(C(=O)CC(F)(F)F)CC3)nc(O[C@H]3CONC3=O)nc2s1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 17/20 0.58
MEN1 O00255 2/20 0.41
HTR6 P50406 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
SCHEMBL5315484 1.00 P2RY12 (0.58) P2RY12MEN1HTR6
SCHEMBL5262993 0.87 P2RY12 (0.59) P2RY12MEN1
SCHEMBL5265801 0.87 P2RY12 (0.59) P2RY12MEN1
SCHEMBL4886442 0.83 P2RY12 (0.64) P2RY12MEN1
SCHEMBL4894985 0.83 P2RY12 (0.64) P2RY12MEN1
SCHEMBL5264486 0.81 P2RY12 (0.66) P2RY12MEN1HTR6
SCHEMBL4895654 0.81 P2RY12 (0.61) P2RY12
SCHEMBL4895692 0.81 P2RY12 (0.61) P2RY12
SCHEMBL5263401 0.81 P2RY12 (0.67) P2RY12MEN1HTR6
SCHEMBL5268538 0.81 P2RY12 (0.67) P2RY12MEN1HTR6

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-1844052-A1 THIENO[2,3-D]PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION Pharmacia & Upjohn Company LLC (US) 2007-10-17 EP disclosed
WO-2006079916-A1 THIENO [2,3-D] PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION PHARMACIA & UPJOHN COMPANY LLC (US) 2006-08-03 WO disclosed