SCHEMBL5265989

SCHEMBL5265989

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 15/20 0.49
MEN1 O00255 3/20 0.44
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
KMT2A Q03164 1/20 0.42
GFER P55789 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL5266045 0.85 P2RY12 (0.61) P2RY12MEN1ALDH1A1LMNAHPGD
SCHEMBL5264253 0.84 P2RY12 (0.59) P2RY12MEN1ALDH1A1KMT2A
SCHEMBL5268191 0.84 P2RY12 (0.63) P2RY12MEN1
SCHEMBL5269075 0.83 P2RY12 (0.54) P2RY12MEN1HSD17B10ALDH1A1LMNA
SCHEMBL5268059 0.83 P2RY12 (0.62) P2RY12MEN1
SCHEMBL5267835 0.82 P2RY12 (0.56) P2RY12MEN1ALDH1A1KMT2A
SCHEMBL5337425 0.80 P2RY12 (0.46) P2RY12MEN1HSD17B10KDM4EALDH1A1
SCHEMBL5337423 0.80 P2RY12 (0.46) P2RY12MEN1HSD17B10KDM4EALDH1A1
SCHEMBL5264371 0.80 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