SCHEMBL5801045

SCHEMBL5801045

COc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cc1NC(=O)O.COc1cc(Br)c(F)cc1NC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 6/20 0.36
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
RORC P51449 3/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
BRAF P15056 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 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
SCHEMBL5804731 0.90 AAK1 (0.39) AAK1PRMT5WDR77RORCMMP1
SCHEMBL6433543 0.85 EGFR (0.35) MEN1KMT2A
SCHEMBL5801047 0.84 AAK1 (0.33) AAK1PRMT5WDR77
SCHEMBL5785487 0.82 AAK1 (0.48) AAK1MMP1MMP2MMP9MMP8
SCHEMBL31662566 0.82 AAK1 (0.48) AAK1MMP1MMP2MMP9MMP8
SCHEMBL31736379 0.80 AAK1 (0.40) AAK1PRMT5WDR77BRAFPOLB
SCHEMBL5787004 0.77 MTNR1A (0.38) AAK1MTNR1AMTNR1BMEN1POLB
SCHEMBL6430612 0.76 LCK (0.45) MEN1POLBKMT2A
SCHEMBL31515237 0.73 AAK1 (0.37) AAK1PRMT5WDR77BRAFPOLB
SCHEMBL20396303 0.72 AAK1 (0.44) AAK1PRMT5WDR77MMP1MMP2

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