SCHEMBL5083287

SCHEMBL5083287

Cc1cc(-c2ccccc2)nc2cc(-c3cn(C4CC(CN(C)C)C4)c4ncncc34)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 10/20 0.38
CYP3A4 P08684 1/20 0.38
AHR P35869 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
HCRTR1 O43613 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
SRC P12931 7/20 0.33
ABL1 P00519 5/20 0.33
EGFR P00533 5/20 0.33
INSR P06213 4/20 0.33
LCK P06239 4/20 0.33
KIT P10721 4/20 0.33
KDR P35968 4/20 0.33
LYN P07948 3/20 0.33
FGFR1 P11362 3/20 0.33

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
SCHEMBL399493 0.85 SRC (0.50) IGF1RSRCABL1EGFRINSR
SCHEMBL5085558 0.84 SRC (0.37) IGF1RAHRALDH1A1MAPTKDM4E
SCHEMBL5078959 0.80 LCK (0.36) IGF1RCYP3A4ALDH1A1MAPTKDM4E
SCHEMBL5086486 0.80 IGF1R (0.39) IGF1RCYP3A4SRCABL1EGFR
SCHEMBL6636964 0.77 IGF1R (0.53) IGF1RSRCABL1EGFRINSR
SCHEMBL400253 0.77 IGF1R (0.46) IGF1RSRCABL1EGFRINSR
SCHEMBL5085319 0.77 IGF1R (0.39) IGF1RCYP3A4SRCABL1EGFR
SCHEMBL5138129 0.75 IGF1R (0.46) IGF1RSRCEGFRINSRLCK
SCHEMBL402233 0.74 IGF1R (0.45) IGF1RSRCABL1EGFRINSR
SCHEMBL400677 0.74 PIK3CD (0.47) IGF1RCYP3A4SRCABL1EGFR

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