SCHEMBL5815909

SCHEMBL5815909

CN1CCN(C2CCC(n3nc(I)c4c(N)nccc43)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 14/20 0.46
SRC P12931 14/20 0.46
TEK Q02763 13/20 0.46
KDR P35968 6/20 0.46
BTK Q06187 2/20 0.46
RET P07949 3/20 0.42
FYN P06241 3/20 0.42
PLK4 O00444 2/20 0.42
PRKD3 O94806 2/20 0.42
MAP4K4 O95819 2/20 0.42
NTRK1 P04629 2/20 0.42
INSR P06213 2/20 0.42
ROS1 P08922 2/20 0.42
FER P16591 2/20 0.42
RPS6KB1 P23443 2/20 0.42
MARK3 P27448 2/20 0.42
AXL P30530 2/20 0.42
FLT4 P35916 2/20 0.42
CSNK1A1 P48729 2/20 0.42
CSNK1D P48730 2/20 0.42

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
SCHEMBL5812794 0.93 GAA (0.43) LCKSRCTEKKDRBTK
SCHEMBL5818829 0.90 GAA (0.47) LCKSRCTEKKDRBTK
SCHEMBL24096562 0.87 RET (0.51) LCKSRCKDRRETFYN
SCHEMBL5819558 0.83 LCK (0.56) LCKSRCTEKKDRBTK
SCHEMBL5817942 0.82 RET (0.47) LCKSRCKDRRETFYN
SCHEMBL5814297 0.82 RET (0.39) LCKSRCKDRBTKRET
SCHEMBL5812791 0.81 EGFR (0.42) LCKSRCKDRBTKRET
SCHEMBL2960034 0.80 LCK (0.67) LCKSRCTEKKDRBTK
SCHEMBL760440 0.80 LCK (0.67) LCKSRCTEKKDRBTK
SCHEMBL760441 0.80 LCK (0.67) LCKSRCTEKKDRBTK

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-1379528-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH (DE) 2005-12-07 EP disclosed
EP-1385524-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS Abbott GmbH & Co. KG (DE) 2004-02-04 EP disclosed
EP-1379528-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GmbH (DE) 2004-01-14 EP disclosed
WO-2002080926-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-17 WO disclosed
WO-2002076986-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-03 WO disclosed