SCHEMBL13812440

SCHEMBL13812440

Nc1nccn2c1c(-c1ccc3ccc(-c4ccccc4)nc3c1)nc2[C@H]1C[C@@H](N2CCN(C(=O)CCc3ccccc3)CC2)C1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 20/20 0.73
CYP3A4 P08684 9/20 0.73
MAPK3 P27361 2/20 0.72
MAPK1 P28482 2/20 0.72
MAPK6 Q16659 1/20 0.72
INSR P06213 4/20 0.62
KDR P35968 2/20 0.62
EGFR P00533 1/20 0.62
RIPK2 O43353 1/20 0.61
ROCK2 O75116 1/20 0.61
LATS1 O95835 1/20 0.61
LCK P06239 1/20 0.61
LYN P07948 1/20 0.61
RET P07949 1/20 0.61
ABCB1 P08183 1/20 0.61
MET P08581 1/20 0.61
FGFR1 P11362 1/20 0.61
INSRR P14616 1/20 0.61
FECH P22830 1/20 0.61
MARK3 P27448 1/20 0.61

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
SCHEMBL13597744 0.89 IGF1R (0.75) IGF1RCYP3A4MAPK3MAPK1MAPK6
SCHEMBL19264067 0.88 IGF1R (0.81) IGF1RCYP3A4MAPK3MAPK1MAPK6
SCHEMBL10225510 0.88 IGF1R (0.81) IGF1RCYP3A4MAPK3MAPK1MAPK6
SCHEMBL10225474 0.88 IGF1R (0.72) IGF1RCYP3A4MAPK3MAPK1MAPK6
SCHEMBL10225523 0.87 IGF1R (0.77) IGF1RCYP3A4MAPK3MAPK1MAPK6
SCHEMBL401060 0.87 IGF1R (0.79) IGF1RCYP3A4MAPK3MAPK1MAPK6
SCHEMBL399697 0.87 IGF1R (0.79) IGF1RCYP3A4MAPK3MAPK1MAPK6
SCHEMBL10225535 0.87 IGF1R (0.79) IGF1RCYP3A4MAPK3MAPK1MAPK6
SCHEMBL10226057 0.87 IGF1R (0.79) IGF1RCYP3A4MAPK3MAPK1MAPK6
SCHEMBL397206 0.86 IGF1R (0.78) IGF1RCYP3A4MAPK3MAPK1MAPK6

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
EP-1740591-B1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI PHARM INC (US) 2009-06-17 EP disclosed