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Sugi Predict / Compounds / SCHEMBL5850593

SCHEMBL5850593

SCHEMBL5850593

CCc1cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)nc(N(C)C)nc2s1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 2/20 0.57
▸ TLR7 Q9NYK1 1/20 0.51
▸ P2RY12 Q9H244 15/20 0.47
▸ HTR6 P50406 1/20 0.47
▸ MEN1 O00255 2/20 0.45
▸ GBA1 P04062 1/20 0.44

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
SCHEMBL5851438 0.87 P2RY12 (0.49) P2RY12HTR6MEN1GBA1
SCHEMBL5849362 0.87 P2RY12 (0.49) TLR9P2RY12HTR6MEN1GBA1
SCHEMBL7051316 0.87 HTR6 (0.64) P2RY12HTR6MEN1GBA1
SCHEMBL4914250 0.86 P2RY12 (0.49) P2RY12HTR6MEN1GBA1
SCHEMBL4723775 0.86 P2RY12 (0.49) P2RY12HTR6MEN1GBA1
SCHEMBL7062150 0.86 HTR6 (0.52) P2RY12HTR6MEN1
SCHEMBL5851018 0.85 P2RY12 (0.48) P2RY12HTR6MEN1GBA1
SCHEMBL5851554 0.85 P2RY12 (0.48) TLR9P2RY12HTR6MEN1
SCHEMBL5850446 0.85 MAPT (0.50) TLR9P2RY12HTR6MEN1
SCHEMBL5849520 0.84 P2RY12 (0.49) P2RY12HTR6MEN1GBA1

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
US-7115741-B2 4-thieno[2,3-D]pyrimidin-4-YL piperazine compounds ALEXION PHARMACEUTICALS, INC. 2006-10-03 — — US disclosed
WO-2003022214-A2 PIPERAZINE AND HOMOPIPERAZINE COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-03-20 — — WO disclosed