SCHEMBL5081330

SCHEMBL5081330

CN(C)CC1CC(n2cc(-c3cc4ncccc4cc3Cl)c3c(N)ncnc32)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 10/20 0.45
ABL1 P00519 6/20 0.45
RET P07949 5/20 0.45
KDR P35968 4/20 0.45
KIF5B P33176 3/20 0.45
SRC P12931 3/20 0.45
JAK2 O60674 2/20 0.45
INSR P06213 2/20 0.45
LCK P06239 2/20 0.45
KIT P10721 2/20 0.45
PDGFRA P16234 2/20 0.45
FGFR4 P22455 2/20 0.45
FGFR3 P22607 2/20 0.45
ALK Q9UM73 2/20 0.45
NTRK1 P04629 1/20 0.45
NPM1 P06748 1/20 0.45
CSF1R P07333 1/20 0.45
LYN P07948 1/20 0.45
MET P08581 1/20 0.45
PDGFRB P09619 1/20 0.45

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
SCHEMBL398750 0.88 IGF1R (0.41) IGF1RABL1RETKDRKIF5B
SCHEMBL400988 0.86 ABL1 (0.47) IGF1RABL1RETKDRKIF5B
SCHEMBL5084883 0.86 IGF1R (0.53) IGF1RABL1RETKDRKIF5B
SCHEMBL402134 0.84 LCK (0.47) IGF1RABL1RETKDRSRC
SCHEMBL401858 0.84 ABL1 (0.41) IGF1RABL1RETKDRKIF5B
SCHEMBL399379 0.83 IGF1R (0.40) IGF1RABL1RETKDRKIF5B
SCHEMBL401866 0.75 IGF1R (0.49) IGF1RABL1RETKDRKIF5B
SCHEMBL13314417 0.75 ABL1 (0.56) IGF1RABL1RETKDRKIF5B
SCHEMBL401204 0.74 IGF1R (0.55) IGF1RABL1RETKDRSRC
SCHEMBL401058 0.73 IGF1R (0.53) IGF1RABL1RETKDRKIF5B

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-1979002-A2 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI Pharmaceuticals, Inc. (US) 2008-10-15 EP claimed
WO-2008076143-A1 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI PHARMACEUTICALS, INC. (US) 2008-06-26 WO claimed
WO-2007075554-A2 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI PHARMACEUTICALS, INC. (US) 2007-07-05 WO claimed