SCHEMBL5337423

SCHEMBL5337423

CCc1cc2c(N3CCN(C(=O)Cc4cccs4)CC3)nc(OC[C@H]3COC(C)(C)O3)nc2s1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 14/20 0.46
MEN1 O00255 3/20 0.41
HSD17B10 Q99714 2/20 0.41
KMT2A Q03164 1/20 0.41
IDH1 O75874 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
GFER P55789 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
SCHEMBL5337425 1.00 P2RY12 (0.46) P2RY12MEN1HSD17B10KMT2AIDH1
SCHEMBL5264838 0.85 P2RY12 (0.58) P2RY12MEN1
SCHEMBL5265404 0.84 P2RY12 (0.49) P2RY12MEN1HSD17B10KMT2AALDH1A1
SCHEMBL5264901 0.83 P2RY12 (0.42) P2RY12MEN1KMT2AALDH1A1
SCHEMBL5270002 0.83 P2RY12 (0.44) P2RY12MEN1
SCHEMBL5375467 0.83 P2RY12 (0.44) P2RY12MEN1
SCHEMBL5340280 0.82 P2RY12 (0.51) P2RY12MEN1KMT2AALDH1A1
SCHEMBL5266625 0.82 P2RY12 (0.51) P2RY12MEN1KMT2AALDH1A1
SCHEMBL5265481 0.81 P2RY12 (0.43) P2RY12MEN1
SCHEMBL5265488 0.81 P2RY12 (0.43) P2RY12MEN1

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