SCHEMBL5823682

SCHEMBL5823682

CN1CCC(N2CCC(n3nc(-c4ccc(Oc5ccccc5)cc4)c4c(N)cncc43)CC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 16/20 0.59
NUDT14 O95848 1/20 0.59
NUDT5 Q9UKK9 1/20 0.59
LCK P06239 7/20 0.58
SRC P12931 4/20 0.58
TEK Q02763 4/20 0.58
KDR P35968 3/20 0.58
LYN P07948 2/20 0.46
EGFR P00533 4/20 0.43
ITK Q08881 2/20 0.43
PLK4 O00444 1/20 0.43
DCLK1 O15075 1/20 0.43
PDPK1 O15530 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
PAK4 O96013 1/20 0.43
CHEK2 O96017 1/20 0.43
ABL1 P00519 1/20 0.43
ERBB2 P04626 1/20 0.43
NTRK1 P04629 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
SCHEMBL6667380 0.94 BTK (0.66) BTKNUDT14NUDT5LCKSRC
SCHEMBL6685312 0.89 BTK (0.56) BTKNUDT14NUDT5LCKSRC
SCHEMBL6688752 0.87 BTK (0.42) BTKNUDT14NUDT5LCKSRC
SCHEMBL6688163 0.87 BTK (0.58) BTKNUDT14NUDT5LCKSRC
SCHEMBL5823922 0.84 LCK (0.56) BTKNUDT14NUDT5LCKSRC
SCHEMBL5803835 0.83 BTK (0.50) BTKNUDT14NUDT5LCKSRC
SCHEMBL6641651 0.82 BTK (0.50) BTKNUDT14NUDT5LCKSRC
SCHEMBL6639329 0.81 BTK (0.51) BTKLCKSRCTEKKDR
SCHEMBL5819209 0.81 SRC (0.49) LCKSRCTEKKDREGFR
SCHEMBL5818332 0.81 BTK (0.48) BTKNUDT14NUDT5LCKSRC

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