SCHEMBL5083767

SCHEMBL5083767

CN(C)CC1CC(c2ncc3c(Nc4ccc5ccc(-c6cccs6)nc5c4)nccn23)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 7/20 0.46
CYP3A4 P08684 5/20 0.46
TNK2 Q07912 1/20 0.34
EGFR P00533 1/20 0.33
INSR P06213 1/20 0.33
KDR P35968 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPK3 P27361 1/20 0.32
MAPK1 P28482 1/20 0.32
MAPK6 Q16659 1/20 0.32
PDGFRB P09619 1/20 0.31
KIT P10721 1/20 0.31
FLT3 P36888 1/20 0.31
KCNH2 Q12809 2/20 0.31
HRH3 Q9Y5N1 2/20 0.31
SRC P12931 1/20 0.30

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
SCHEMBL5082157 0.90 IGF1R (0.38) IGF1RCYP3A4TNK2NPC1RAB9A
SCHEMBL5085063 0.90 IGF1R (0.42) IGF1RCYP3A4TNK2EGFRINSR
SCHEMBL5258044 0.87 IGF1R (0.58) IGF1RCYP3A4TNK2EGFRINSR
SCHEMBL5084929 0.87 IGF1R (0.47) IGF1RCYP3A4TNK2EGFRINSR
SCHEMBL5083550 0.85 IGF1R (0.40) IGF1RCYP3A4TNK2NPC1RAB9A
SCHEMBL5083969 0.79 IGF1R (0.46) IGF1RCYP3A4TNK2EGFRINSR
SCHEMBL5081269 0.79 CYP3A4 (0.39) IGF1RCYP3A4TNK2KDM4EALDH1A1
SCHEMBL5080265 0.78 RAB9A (0.35) IGF1RCYP3A4TNK2NPC1RAB9A
SCHEMBL5138226 0.78 IGF1R (0.56) IGF1RCYP3A4TNK2EGFRINSR
SCHEMBL5085066 0.76 IGF1R (0.44) IGF1RCYP3A4TNK2EGFRINSR

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 disclosed