Sugi Predict

Sugi Predict / Compounds / SCHEMBL5269747

SCHEMBL5269747

SCHEMBL5269747

CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)C[C@H]3C)nc(OC[C@H](O)CO)nc2s1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 15/20 0.57
▸ SLC6A7 Q99884 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ SMO Q99835 4/20 0.45

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
SCHEMBL5262620 1.00 P2RY12 (0.57) P2RY12SLC6A7MEN1SMO
SCHEMBL5336543 0.85 P2RY12 (0.57) P2RY12MEN1SMO
SCHEMBL5265427 0.85 P2RY12 (0.57) P2RY12MEN1SMO
SCHEMBL5264604 0.83 P2RY12 (0.60) P2RY12SLC6A7MEN1SMO
SCHEMBL5264908 0.83 P2RY12 (0.60) P2RY12SLC6A7MEN1SMO
SCHEMBL5265651 0.83 P2RY12 (0.65) P2RY12MEN1
SCHEMBL5267881 0.83 P2RY12 (0.50) P2RY12SLC6A7MEN1SMO
SCHEMBL5266300 0.83 P2RY12 (0.50) P2RY12SLC6A7MEN1SMO
SCHEMBL5267786 0.82 P2RY12 (0.64) P2RY12SLC6A7MEN1
SCHEMBL5265493 0.82 P2RY12 (0.71) 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