SCHEMBL5264253

SCHEMBL5264253

CCc1cc2c(N3CCN(C(=O)Cc4ccc(F)c(F)c4)CC3)nc(OC[C@H](O)CO)nc2s1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 16/20 0.59
MEN1 O00255 4/20 0.41
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK11 Q15759 1/20 0.39
MAPK15 Q8TD08 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
SCHEMBL5267701 0.89 P2RY12 (0.64) P2RY12MEN1ALDH1A1KMT2A
SCHEMBL5265989 0.84 P2RY12 (0.49) P2RY12MEN1ALDH1A1KMT2A
SCHEMBL5268191 0.84 P2RY12 (0.63) P2RY12MEN1
SCHEMBL5263310 0.84 P2RY12 (0.57) P2RY12MEN1ALDH1A1KMT2A
SCHEMBL5266045 0.83 P2RY12 (0.61) P2RY12MEN1ALDH1A1KMT2A
SCHEMBL5263871 0.81 P2RY12 (0.64) P2RY12MEN1ALDH1A1KMT2A
SCHEMBL5269075 0.81 P2RY12 (0.54) P2RY12MEN1ALDH1A1KMT2A
SCHEMBL5268059 0.81 P2RY12 (0.62) P2RY12MEN1
SCHEMBL5263833 0.79 P2RY12 (0.61) P2RY12MEN1ALDH1A1KMT2A
SCHEMBL5262412 0.79 P2RY12 (0.57) P2RY12MEN1ALDH1A1KMT2A

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