SCHEMBL4312964

SCHEMBL4312964

[CH2][C@H]1CC[C@H](c2nc(I)c3c(Cl)nccn32)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 15/20 0.38
FGFR2 P21802 1/20 0.36
FGFR1 P11362 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
MTOR P42345 1/20 0.35
PIK3CG P48736 1/20 0.35
PRKDC P78527 1/20 0.35
RICTOR Q6R327 1/20 0.35
RPTOR Q8N122 1/20 0.35
MAPKAP1 Q9BPZ7 1/20 0.35
MLST8 Q9BVC4 1/20 0.35
IGF1R P08069 2/20 0.34

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
SCHEMBL398312 0.89 TNK2 (0.46) TNK2FGFR2FGFR1IGF1R
SCHEMBL3030306 0.88 TNK2 (0.34) TNK2FGFR2FGFR1
SCHEMBL3030193 0.88 TNK2 (0.34) TNK2FGFR2FGFR1
SCHEMBL3030190 0.88 TNK2 (0.34) TNK2FGFR2FGFR1
SCHEMBL13961844 0.86 TNK2 (0.46) TNK2FGFR2FGFR1IGF1R
SCHEMBL4316054 0.85 TNK2 (0.48) TNK2FGFR2FGFR1IGF1R
SCHEMBL402101 0.83 TNK2 (0.46) TNK2FGFR2FGFR1PIK3CAPIK3CB
SCHEMBL400470 0.83 TNK2 (0.46) TNK2FGFR2FGFR1PIK3CAPIK3CB
SCHEMBL23216701 0.83 TNK2 (0.37) TNK2FGFR2FGFR1PIK3CAPIK3CB
SCHEMBL1567075 0.80 TNK2 (0.53) TNK2FGFR2FGFR1PIK3CAPIK3CB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2283020-B1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARM INC (US) 2012-10-31 EP disclosed
WO-2009143051-A1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-26 WO disclosed