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Sugi Predict / Compounds / SCHEMBL5263578

SCHEMBL5263578

SCHEMBL5263578

CCc1cc2c(N3CCN(C(=O)c4ccc5c(c4)-c4ccccc4C5=O)CC3)nc(OC[C@H]3COC(C)(C)O3)nc2s1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 19/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.39
▸ KMT2A Q03164 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
SCHEMBL5340280 0.88 P2RY12 (0.51) P2RY12MEN1ALDH1A1KMT2A
SCHEMBL5266625 0.88 P2RY12 (0.51) P2RY12MEN1ALDH1A1KMT2A
SCHEMBL5263295 0.86 P2RY12 (0.49) P2RY12MEN1KMT2A
SCHEMBL5263411 0.85 P2RY12 (0.53) P2RY12MEN1ALDH1A1KMT2A
SCHEMBL5375467 0.81 P2RY12 (0.44) P2RY12MEN1
SCHEMBL5270002 0.81 P2RY12 (0.44) P2RY12MEN1
SCHEMBL5370197 0.81 P2RY12 (0.51) P2RY12MEN1
SCHEMBL5267523 0.80 P2RY12 (0.48) P2RY12MEN1ALDH1A1
SCHEMBL5382425 0.80 P2RY12 (0.43) P2RY12MEN1
SCHEMBL5265404 0.80 P2RY12 (0.49) P2RY12MEN1ALDH1A1KMT2A

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