SCHEMBL4248137

SCHEMBL4248137

NC1CCC(C2=C3C=NC=C[N+]3(N)C(c3ccc4ccc(-c5ccccc5)nc4c3)=N2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 10/20 0.35
CYP3A4 P08684 4/20 0.35
INSR P06213 2/20 0.31
RIPK2 O43353 1/20 0.31
ROCK2 O75116 1/20 0.31
LATS1 O95835 1/20 0.31
LCK P06239 1/20 0.31
LYN P07948 1/20 0.31
RET P07949 1/20 0.31
ABCB1 P08183 1/20 0.31
MET P08581 1/20 0.31
FGFR1 P11362 1/20 0.31
INSRR P14616 1/20 0.31
FECH P22830 1/20 0.31
MAPK3 P27361 1/20 0.31
MARK3 P27448 1/20 0.31
MAPK1 P28482 1/20 0.31
FLT4 P35916 1/20 0.31
KDR P35968 1/20 0.31
MAP2K2 P36507 1/20 0.31

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
SCHEMBL398095 0.91 IGF1R (0.34) IGF1RCYP3A4INSRRIPK2ROCK2
SCHEMBL400990 0.90 CCNT1 (0.36) IGF1RCYP3A4INSRRIPK2ROCK2
SCHEMBL399367 0.89 IGF1R (0.33) IGF1RCYP3A4INSRRIPK2ROCK2
SCHEMBL402225 0.89 IGF1R (0.33) IGF1RCYP3A4INSRRIPK2ROCK2
SCHEMBL397966 0.89 IGF1R (0.41) IGF1RCYP3A4INSRRIPK2ROCK2
SCHEMBL398430 0.89 IGF1R (0.33) IGF1RCYP3A4INSRRIPK2ROCK2
SCHEMBL397230 0.89 IGF1R (0.46) IGF1RCYP3A4INSRRIPK2ROCK2
SCHEMBL396641 0.87 IGF1R (0.41) IGF1RCYP3A4INSRRIPK2ROCK2
SCHEMBL401871 0.87 IGF1R (0.33) IGF1RCYP3A4INSRRIPK2ROCK2
SCHEMBL399135 0.87 IGF1R (0.36) IGF1RCYP3A4INSRRIPK2ROCK2

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 claimed