SCHEMBL5823922

SCHEMBL5823922

CN1CCN(C2CCC(n3nc(-c4cnc(Oc5ccccc5)nc4)c4c(N)cncc43)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 13/20 0.56
SRC P12931 12/20 0.56
TEK Q02763 12/20 0.56
BTK Q06187 8/20 0.56
KDR P35968 5/20 0.56
NUDT14 O95848 1/20 0.46
NUDT5 Q9UKK9 1/20 0.46
EGFR P00533 3/20 0.43
ERBB2 P04626 3/20 0.43
ERBB4 Q15303 3/20 0.43
LYN P07948 2/20 0.43
LIMK1 P53667 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

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 0.90 BTK (0.66) LCKSRCTEKBTKKDR
SCHEMBL5823682 0.84 BTK (0.59) LCKSRCTEKBTKKDR
SCHEMBL6685312 0.83 BTK (0.56) LCKSRCTEKBTKKDR
SCHEMBL5815190 0.82 LCK (0.82) LCKSRCTEKBTKKDR
SCHEMBL6430244 0.82 LCK (0.82) LCKSRCTEKBTKKDR
SCHEMBL5815195 0.82 LCK (0.82) LCKSRCTEKBTKKDR
SCHEMBL5822199 0.80 LCK (0.49) LCKSRCTEKBTKKDR
SCHEMBL6688969 0.79 SRC (0.67) LCKSRCTEKBTKKDR
SCHEMBL6667817 0.78 LCK (0.44) LCKSRCTEKBTKKDR
SCHEMBL5820135 0.78 LCK (0.45) 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 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