SCHEMBL5086486

SCHEMBL5086486

CN(C)CC1CC(n2cc(-c3cc4nc(-c5ccccc5)ccc4cc3Cl)c3cncnc32)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.39
CYP3A4 P08684 1/20 0.39
ABL1 P00519 4/20 0.31
ABL2 P42684 3/20 0.31
EGFR P00533 2/20 0.31
FGFR1 P11362 2/20 0.31
FGFR2 P21802 2/20 0.31
FGFR4 P22455 2/20 0.31
FGFR3 P22607 2/20 0.31
KDR P35968 2/20 0.31
LCK P06239 2/20 0.31
LYN P07948 2/20 0.31
RET P07949 2/20 0.31
PDGFRB P09619 2/20 0.31
BCR P11274 2/20 0.31
MST1R Q04912 2/20 0.31
JAK2 O60674 1/20 0.31
NTRK1 P04629 1/20 0.31
INSR P06213 1/20 0.31
NPM1 P06748 1/20 0.31

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
SCHEMBL400988 0.85 ABL1 (0.47) IGF1RCYP3A4ABL1ABL2EGFR
SCHEMBL5084774 0.84 SRC (0.37) IGF1RCYP3A4ABL1ABL2EGFR
SCHEMBL5085319 0.83 IGF1R (0.39) IGF1RCYP3A4ABL1ABL2EGFR
SCHEMBL5083287 0.80 IGF1R (0.38) IGF1RCYP3A4ABL1ABL2EGFR
SCHEMBL5078959 0.76 LCK (0.36) IGF1RCYP3A4ABL1ABL2EGFR
SCHEMBL5083828 0.76 IGF1R (0.51) IGF1RCYP3A4EGFRFGFR1KDR
SCHEMBL398750 0.76 IGF1R (0.41) IGF1RCYP3A4ABL1ABL2EGFR
SCHEMBL400221 0.75 IGF1R (0.46) IGF1RCYP3A4ABL1EGFRKDR
SCHEMBL10273338 0.74 IGF1R (0.53) IGF1RCYP3A4ABL1ABL2EGFR
SCHEMBL401058 0.74 IGF1R (0.53) IGF1RCYP3A4ABL1ABL2EGFR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008076143-A1 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI PHARMACEUTICALS, INC. (US) 2008-06-26 WO claimed