SCHEMBL5801047

SCHEMBL5801047

COc1cc(Br)c(F)cc1NC(=O)ON(C(=O)OC(C)(C)C)c1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1OC

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.33
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30
USP30 Q70CQ3 1/20 0.30

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
SCHEMBL5801045 0.84 AAK1 (0.36) AAK1PRMT5WDR77
SCHEMBL5804731 0.82 AAK1 (0.39) AAK1BACE1BACE2PRMT5WDR77
SCHEMBL5785487 0.73 AAK1 (0.48) AAK1BACE1
SCHEMBL31662566 0.73 AAK1 (0.48) AAK1BACE1
SCHEMBL6433543 0.72 EGFR (0.35)
SCHEMBL31736379 0.71 AAK1 (0.40) AAK1BACE1BACE2PRMT5WDR77
SCHEMBL24746155 0.67 TSHR (0.52) AAK1
SCHEMBL31515237 0.65 AAK1 (0.37) AAK1BACE1BACE2PRMT5WDR77
SCHEMBL2320655 0.65 AAK1 (0.30) AAK1
SCHEMBL24847587 0.65 BACE1 (0.41) BACE1USP30

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385524-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2006-02-01 EP disclosed
EP-1212327-B8 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2004-02-25 EP disclosed
EP-1385524-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS Abbott GmbH & Co. KG (DE) 2004-02-04 EP disclosed
WO-2002080926-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-17 WO disclosed
EP-1212327-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2002-06-12 EP disclosed
WO-2001019829-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-22 WO disclosed