SCHEMBL5269075

SCHEMBL5269075

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 11/20 0.54
MEN1 O00255 2/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
GPR183 P32249 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 3/20 0.43
TP53 P04637 2/20 0.43
HSD17B10 Q99714 1/20 0.43
GLA P06280 1/20 0.43
POLB P06746 1/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL5266045 0.93 P2RY12 (0.61) P2RY12MEN1KMT2ALMNAMAPT
SCHEMBL5267701 0.86 P2RY12 (0.64) P2RY12MEN1KMT2AALDH1A1
SCHEMBL5268059 0.86 P2RY12 (0.62) P2RY12MEN1
SCHEMBL5265989 0.83 P2RY12 (0.49) P2RY12MEN1KMT2ALMNAHPGD
SCHEMBL5268191 0.83 P2RY12 (0.63) P2RY12MEN1
SCHEMBL5265404 0.82 P2RY12 (0.49) P2RY12MEN1KMT2ALMNAGAA
SCHEMBL5263597 0.81 P2RY12 (0.57) P2RY12MEN1KMT2A
SCHEMBL5263918 0.81 P2RY12 (0.59) P2RY12MEN1KMT2AALDH1A1
SCHEMBL5265651 0.81 P2RY12 (0.65) P2RY12MEN1
SCHEMBL5264371 0.81 P2RY12 (0.51) 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