SCHEMBL13812432

SCHEMBL13812432

CNC[C@H]1CC[C@H](c2nc(-c3ccc4c(C)cc(-c5ccccc5)nc4c3)c3c(N)nccn32)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 3/20 0.65
IGF1R P08069 17/20 0.62
CYP3A4 P08684 6/20 0.62
INSR P06213 2/20 0.55
KDR P35968 2/20 0.55
EGFR P00533 1/20 0.55
MAPK3 P27361 2/20 0.54
MAPK1 P28482 2/20 0.54
RIPK2 O43353 1/20 0.54
ROCK2 O75116 1/20 0.54
LATS1 O95835 1/20 0.54
LCK P06239 1/20 0.54
LYN P07948 1/20 0.54
RET P07949 1/20 0.54
ABCB1 P08183 1/20 0.54
MET P08581 1/20 0.54
FGFR1 P11362 1/20 0.54
INSRR P14616 1/20 0.54
FECH P22830 1/20 0.54
MARK3 P27448 1/20 0.54

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
SCHEMBL19264158 0.92 IGF1R (0.60) TNK2IGF1RCYP3A4INSRKDR
SCHEMBL401017 0.91 IGF1R (0.64) TNK2IGF1RCYP3A4INSRKDR
SCHEMBL401019 0.91 IGF1R (0.64) TNK2IGF1RCYP3A4INSRKDR
SCHEMBL401929 0.89 IGF1R (0.77) TNK2IGF1RCYP3A4
SCHEMBL401268 0.89 IGF1R (0.71) TNK2IGF1RCYP3A4INSRKDR
SCHEMBL401269 0.89 IGF1R (0.71) TNK2IGF1RCYP3A4INSRKDR
SCHEMBL14472866 0.89 IGF1R (0.76) TNK2IGF1RCYP3A4INSRKDR
SCHEMBL13128500 0.89 IGF1R (0.68) TNK2IGF1RCYP3A4INSRKDR
SCHEMBL10225407 0.88 IGF1R (0.68) TNK2IGF1RCYP3A4INSRKDR
SCHEMBL401084 0.87 IGF1R (0.61) TNK2IGF1RCYP3A4INSRKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740591-B1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI PHARM INC (US) 2009-06-17 EP disclosed
WO-2008076143-A1 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI PHARMACEUTICALS, INC. (US) 2008-06-26 WO disclosed