SCHEMBL1129220

SCHEMBL1129220

NC(=O)OC(Cc1ccccc1)[C@H]1CC[C@H](c2nc(I)c3c(Cl)nccn32)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 10/20 0.41
TNK2 Q07912 9/20 0.39
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
MTOR P42345 1/20 0.37
PIK3CG P48736 1/20 0.37
PRKDC P78527 1/20 0.37
RICTOR Q6R327 1/20 0.37
RPTOR Q8N122 1/20 0.37
MAPKAP1 Q9BPZ7 1/20 0.37
MLST8 Q9BVC4 1/20 0.37

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
SCHEMBL1129269 0.90 IGF1R (0.48) IGF1RTNK2
SCHEMBL1129455 0.83 IGF1R (0.37) IGF1RTNK2
SCHEMBL593640 0.76 TNK2 (0.41) IGF1RTNK2PIK3CAPIK3CBMTOR
SCHEMBL593638 0.76 TNK2 (0.41) IGF1RTNK2PIK3CAPIK3CBMTOR
SCHEMBL594301 0.75 GRIN2B (0.49) IGF1RTNK2
SCHEMBL1129225 0.74 TNK2 (0.62) IGF1RTNK2
SCHEMBL27671106 0.73 SRR (0.44)
SCHEMBL1552357 0.71 IGF1R (0.43) IGF1RTNK2PIK3CAPIK3CBMTOR
SCHEMBL1552360 0.71 IGF1R (0.43) IGF1RTNK2PIK3CAPIK3CBMTOR
SCHEMBL400470 0.71 TNK2 (0.46) IGF1RTNK2PIK3CAPIK3CBMTOR

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-2283020-A1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI Pharmaceuticals, Inc. (US) 2011-02-16 EP disclosed