SCHEMBL2574101

SCHEMBL2574101

Nc1nccn2c(C3CCN(C(=O)O)CC3)nc(I)c12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 15/20 0.48
▸ RAF1 P04049 1/20 0.46
▸ SRC P12931 1/20 0.46
▸ PIK3CA P42336 1/20 0.44
▸ PIK3CB P42338 1/20 0.44
▸ MTOR P42345 1/20 0.44
▸ PIK3CG P48736 1/20 0.44
▸ PRKDC P78527 1/20 0.44
▸ RICTOR Q6R327 1/20 0.44
▸ RPTOR Q8N122 1/20 0.44
▸ MAPKAP1 Q9BPZ7 1/20 0.44
▸ MLST8 Q9BVC4 1/20 0.44
▸ FGFR2 P21802 1/20 0.44
▸ BTK Q06187 1/20 0.44
▸ FGFR1 P11362 1/20 0.44
▸ FGFR4 P22455 1/20 0.44
▸ FGFR3 P22607 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
SCHEMBL28911444 0.93 FGFR4 (0.49) TNK2RAF1SRCFGFR2BTK
SCHEMBL28911445 0.93 FGFR4 (0.49) TNK2RAF1SRCFGFR2BTK
SCHEMBL4357539 0.85 TNK2 (0.64) TNK2RAF1SRCPIK3CAPIK3CB
SCHEMBL28911435 0.82 FGFR4 (0.62) TNK2FGFR2BTKFGFR1FGFR4
SCHEMBL24251869 0.82 FGFR4 (0.62) TNK2FGFR2BTKFGFR1FGFR4
SCHEMBL398874 0.82 FGFR2 (0.57) TNK2FGFR2FGFR1
SCHEMBL594940 0.82 TNK2 (0.59) TNK2PIK3CAPIK3CBMTORPIK3CG
SCHEMBL594938 0.82 TNK2 (0.59) TNK2PIK3CAPIK3CBMTORPIK3CG
SCHEMBL593894 0.82 IGF1R (0.51) TNK2
SCHEMBL26791421 0.80 TNK2 (0.59) TNK2RAF1SRCFGFR2BTK

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-2385053-A2 Intermediates for the preparation of fused bicyclic mTOR inhibitors OSI Pharmaceuticals, Inc. (US) 2011-11-09 — — EP disclosed
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