SCHEMBL5084261

SCHEMBL5084261

Nc1ncnc2c1c(-c1ccc3ccc(-c4cc[c]cc4)nc3c1F)cn2C1CC(CN2CCC2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 20/20 0.55
INSR P06213 5/20 0.55
LCK P06239 4/20 0.55
KDR P35968 4/20 0.55
KIT P10721 3/20 0.55
PDPK1 O15530 3/20 0.55
RET P07949 3/20 0.55
KCNH2 Q12809 3/20 0.55
EGFR P00533 2/20 0.55
PDGFRA P16234 2/20 0.55
FGFR4 P22455 2/20 0.55
PIK3CG P48736 2/20 0.55
BTK Q06187 2/20 0.55
AURKA O14965 2/20 0.55
ROCK2 O75116 2/20 0.55
PIK3CD O00329 2/20 0.55
EPHB4 P54760 2/20 0.55
EPHA4 P54764 2/20 0.55
JAK2 O60674 1/20 0.55
ABL1 P00519 1/20 0.55

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
SCHEMBL399750 0.92 IGF1R (0.61) IGF1RINSRLCKKDRKIT
SCHEMBL401185 0.86 IGF1R (0.55) IGF1RINSRLCKKDRKIT
SCHEMBL399632 0.84 IGF1R (0.53) IGF1RINSRLCKKDRKIT
SCHEMBL403037 0.80 IGF1R (0.59) IGF1RINSRLCKKDRKIT
SCHEMBL400273 0.80 IGF1R (0.55) IGF1RINSRLCKKDRKIT
SCHEMBL399679 0.78 EGFR (0.49) IGF1RINSRLCKKDRKIT
SCHEMBL400529 0.77 EGFR (0.68) IGF1RINSRLCKKDRKIT
SCHEMBL400053 0.77 SRC (0.67) IGF1RINSRLCKKDRKIT
SCHEMBL400527 0.76 IGF1R (0.69) IGF1RINSRLCKKDRKIT
SCHEMBL400528 0.76 IGF1R (0.69) IGF1RINSRLCKKDRKIT

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