SCHEMBL5822934

SCHEMBL5822934

CC(C)(C)OC(=O)N(CCO)CCC(=O)N1CCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccc32)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTK Q06187 19/20 0.48
EGFR P00533 3/20 0.48
KIT P10721 1/20 0.48
FLT3 P36888 1/20 0.48
LCK P06239 1/20 0.48
ITK Q08881 1/20 0.48
NUDT14 O95848 1/20 0.44
NUDT5 Q9UKK9 1/20 0.44
TNK2 Q07912 1/20 0.43

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
SCHEMBL5803241 0.90 BTK (0.61) BTKEGFRKITFLT3LCK
SCHEMBL6465778 0.85 BTK (0.56) BTKEGFRKITFLT3LCK
SCHEMBL5823166 0.84 BTK (0.65) BTKEGFRKITFLT3LCK
SCHEMBL6433565 0.82 BTK (0.61) BTKEGFRKITFLT3LCK
SCHEMBL21966559 0.79 BTK (0.59) BTKEGFRKITFLT3LCK
SCHEMBL6641514 0.78 BTK (0.56) BTKEGFRLCKNUDT14NUDT5
SCHEMBL6430393 0.76 BTK (0.69) BTKEGFRKITFLT3LCK
SCHEMBL1568925 0.76 BTK (0.79) BTKEGFRLCKITK
SCHEMBL5823933 0.76 BTK (0.49) BTKEGFRLCKITKNUDT14
SCHEMBL21903500 0.76 BTK (0.62) BTKEGFRLCKITKNUDT14

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 3 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-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