SCHEMBL1567075

SCHEMBL1567075

Nc1nccn2c1c(I)nc2[C@H]1CC[C@H](CO)CC1.OC[C@H]1CC[C@H](c2nc(I)c3c(Cl)nccn32)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 14/20 0.53
IGF1R P08069 3/20 0.47
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
MTOR P42345 1/20 0.42
PIK3CG P48736 1/20 0.42
PRKDC P78527 1/20 0.42
RICTOR Q6R327 1/20 0.42
RPTOR Q8N122 1/20 0.42
MAPKAP1 Q9BPZ7 1/20 0.42
MLST8 Q9BVC4 1/20 0.42
FGFR2 P21802 1/20 0.41
FGFR1 P11362 1/20 0.41

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
SCHEMBL402054 0.93 TNK2 (0.59) TNK2IGF1RFGFR2
SCHEMBL401909 0.93 TNK2 (0.59) TNK2IGF1RFGFR2
SCHEMBL402101 0.93 TNK2 (0.46) TNK2IGF1RPIK3CAPIK3CBMTOR
SCHEMBL400470 0.93 TNK2 (0.46) TNK2IGF1RPIK3CAPIK3CBMTOR
SCHEMBL2797385 0.90 TNK2 (0.52) TNK2IGF1RFGFR2
SCHEMBL1566724 0.85 TNK2 (0.41) TNK2IGF1RPIK3CAPIK3CBMTOR
SCHEMBL401216 0.83 TNK2 (0.58) TNK2IGF1R
SCHEMBL4541532 0.83 TNK2 (0.58) TNK2IGF1R
SCHEMBL10226172 0.83 TNK2 (0.58) TNK2IGF1R
SCHEMBL400530 0.83 TNK2 (0.45) TNK2IGF1R

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-2305682-A1 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, Inc. (US) 2011-04-06 EP disclosed