SCHEMBL5265404

SCHEMBL5265404

CCc1cc2c(N3CCN(C(=O)COc4ccc5ccccc5c4)CC3)nc(OC[C@H]3COC(C)(C)O3)nc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 11/20 0.49
MEN1 O00255 2/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GPR183 P32249 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 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 0.84 P2RY12 (0.46) P2RY12MEN1KMT2ALMNAMAPT
SCHEMBL5337423 0.84 P2RY12 (0.46) P2RY12MEN1KMT2ALMNAMAPT
SCHEMBL5264838 0.84 P2RY12 (0.58) P2RY12MEN1
SCHEMBL5270002 0.83 P2RY12 (0.44) P2RY12MEN1
SCHEMBL5375467 0.83 P2RY12 (0.44) P2RY12MEN1
SCHEMBL5263295 0.82 P2RY12 (0.49) P2RY12MEN1KMT2AMAPT
SCHEMBL5340280 0.82 P2RY12 (0.51) P2RY12MEN1KMT2AALDH1A1
SCHEMBL5266625 0.82 P2RY12 (0.51) P2RY12MEN1KMT2AALDH1A1
SCHEMBL5382425 0.82 P2RY12 (0.43) P2RY12MEN1
SCHEMBL5382429 0.82 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