SCHEMBL5819015

SCHEMBL5819015

CN1CCN(C2CCC(n3nc(-c4ccc(Oc5cccc(CN)c5)cc4)c4c(N)nccc43)CC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 13/20 0.61
SRC P12931 12/20 0.61
TEK Q02763 11/20 0.61
BTK Q06187 9/20 0.61
KDR P35968 5/20 0.61
NUDT14 O95848 1/20 0.51
NUDT5 Q9UKK9 1/20 0.51
LYN P07948 2/20 0.46
LIMK1 P53667 2/20 0.46
CSK P41240 2/20 0.46
PLK4 O00444 1/20 0.46
DCLK1 O15075 1/20 0.46
PDPK1 O15530 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
PAK4 O96013 1/20 0.46
CHEK2 O96017 1/20 0.46
ABL1 P00519 1/20 0.46
EGFR P00533 1/20 0.46
ERBB2 P04626 1/20 0.46

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
SCHEMBL29844235 0.89 BTK (0.75) LCKSRCTEKBTKKDR
SCHEMBL23239685 0.89 BTK (0.75) LCKSRCTEKBTKKDR
SCHEMBL23239684 0.89 BTK (0.75) LCKSRCTEKBTKKDR
SCHEMBL23217530 0.89 BTK (0.75) LCKSRCTEKBTKKDR
SCHEMBL5819012 0.88 LCK (0.80) LCKSRCTEKBTKKDR
SCHEMBL6430220 0.88 LCK (0.80) LCKSRCTEKBTKKDR
SCHEMBL5817702 0.82 BTK (0.64) LCKSRCTEKBTKKDR
SCHEMBL6430615 0.80 LCK (0.82) LCKSRCTEKBTKKDR
SCHEMBL6430619 0.80 LCK (0.82) LCKSRCTEKBTKKDR
SCHEMBL5819558 0.80 LCK (0.56) LCKSRCTEKBTKKDR

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