SCHEMBL4070276

SCHEMBL4070276

CCNC(=O)NCC1CCC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 16/20 0.73
CYP3A4 P08684 9/20 0.68
INSR P06213 3/20 0.63
KDR P35968 3/20 0.63
MAPK3 P27361 2/20 0.63
MAPK1 P28482 2/20 0.63
MAP2K1 Q02750 2/20 0.63
RIPK2 O43353 1/20 0.63
ROCK2 O75116 1/20 0.63
LATS1 O95835 1/20 0.63
LCK P06239 1/20 0.63
LYN P07948 1/20 0.63
RET P07949 1/20 0.63
ABCB1 P08183 1/20 0.63
MET P08581 1/20 0.63
FGFR1 P11362 1/20 0.63
INSRR P14616 1/20 0.63
FECH P22830 1/20 0.63
MARK3 P27448 1/20 0.63
FLT4 P35916 1/20 0.63

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
SCHEMBL11911365 1.00 IGF1R (0.73) IGF1RCYP3A4INSRKDRMAPK3
SCHEMBL13840469 1.00 IGF1R (0.73) IGF1RCYP3A4INSRKDRMAPK3
SCHEMBL4070271 1.00 IGF1R (0.73) IGF1RCYP3A4INSRKDRMAPK3
SCHEMBL398893 0.92 IGF1R (0.73) IGF1RCYP3A4INSRKDRMAPK3
SCHEMBL13812661 0.92 IGF1R (0.73) IGF1RCYP3A4INSRKDRMAPK3
SCHEMBL398891 0.92 IGF1R (0.73) IGF1RCYP3A4INSRKDRMAPK3
SCHEMBL13842367 0.91 IGF1R (0.75) IGF1RCYP3A4INSRKDRMAPK3
SCHEMBL13992378 0.90 IGF1R (0.68) IGF1RCYP3A4INSRKDRMAPK3
SCHEMBL401992 0.88 IGF1R (0.68) IGF1RCYP3A4INSRKDRMAPK3
SCHEMBL13812434 0.88 IGF1R (0.68) IGF1RCYP3A4INSRKDRMAPK3

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-2168968-B1 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS LLC (US) 2017-08-23 EP disclosed
EP-1740591-B1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI PHARM INC (US) 2009-06-17 EP disclosed