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Sugi Predict / Compounds / SCHEMBL5267523

SCHEMBL5267523

SCHEMBL5267523

CC(C)c1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(OC[C@H]3COC(C)(C)O3)nc2s1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 17/20 0.48
▸ MEN1 O00255 1/20 0.41
▸ CNR2 P34972 1/20 0.40
▸ GPR55 Q9Y2T6 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL5370197 0.86 P2RY12 (0.51) P2RY12MEN1CNR2GPR55
SCHEMBL5270416 0.86 P2RY12 (0.44) P2RY12MEN1ALDH1A1
SCHEMBL5263411 0.84 P2RY12 (0.53) P2RY12MEN1ALDH1A1
SCHEMBL5266625 0.82 P2RY12 (0.51) P2RY12MEN1ALDH1A1
SCHEMBL5340280 0.82 P2RY12 (0.51) P2RY12MEN1ALDH1A1
SCHEMBL5263578 0.80 P2RY12 (0.47) P2RY12MEN1ALDH1A1
SCHEMBL5266300 0.80 P2RY12 (0.50) P2RY12MEN1
SCHEMBL5263822 0.80 P2RY12 (0.50) P2RY12MEN1
SCHEMBL5267881 0.80 P2RY12 (0.50) P2RY12MEN1
SCHEMBL5268276 0.80 P2RY12 (0.50) 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