SCHEMBL4070824

SCHEMBL4070824

CNOC(=O)C1CCC(c2nc(-c3cc4nc(-c5ccccc5)ccc4cc3Cl)c3c(N)ncnn23)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 10/20 0.55
TNK2 Q07912 9/20 0.54
INSR P06213 6/20 0.52
RIPK2 O43353 1/20 0.44
RET P07949 1/20 0.44
NQO2 P16083 1/20 0.44
CSNK2A2 P19784 1/20 0.44
FECH P22830 1/20 0.44
ACVR1B P36896 1/20 0.44
TGFBR1 P36897 1/20 0.44
PIK3CA P42336 1/20 0.44
MTOR P42345 1/20 0.44
PIK3CG P48736 1/20 0.44
MAPK10 P53779 1/20 0.44
PRKDC P78527 1/20 0.44
MAP2K5 Q13163 1/20 0.44
BMPR2 Q13873 1/20 0.44
RICTOR Q6R327 1/20 0.44
RPTOR Q8N122 1/20 0.44
PIP4K2C Q8TBX8 1/20 0.44

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
SCHEMBL399474 0.91 IGF1R (0.57) IGF1RTNK2INSRRIPK2RET
Methylamine SCHEMBL4070820 0.90 IGF1R (0.60) IGF1RTNK2INSRRIPK2RET
SCHEMBL402531 0.89 IGF1R (0.61) IGF1RTNK2INSRRIPK2RET
SCHEMBL4065701 0.87 IGF1R (0.62) IGF1RTNK2INSR
Carbamic Acid SCHEMBL4061882 0.85 IGF1R (0.66) IGF1RTNK2INSR
SCHEMBL402396 0.85 IGF1R (0.75) IGF1RTNK2INSR
SCHEMBL399740 0.83 IGF1R (0.62) IGF1RTNK2INSR
SCHEMBL27961627 0.82 IGF1R (0.74) IGF1RTNK2INSRRIPK2RET
SCHEMBL398160 0.82 IGF1R (0.60) IGF1RTNK2INSR
SCHEMBL400384 0.79 IGF1R (0.74) IGF1RTNK2INSRRIPK2RET

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