SCHEMBL5081252

SCHEMBL5081252

NC(=O)C1CCC(c2ncc3c(N)nc(-c4cc5nc(Oc6ccccc6)ccc5cc4Cl)cn23)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 11/20 0.42
IGF1R P08069 3/20 0.39
KLKB1 P03952 1/20 0.32
PIK3CG P48736 2/20 0.32
PIK3CD O00329 1/20 0.32
PIK3R2 O00459 1/20 0.32
MCHR2 Q969V1 2/20 0.32
MCHR1 Q99705 2/20 0.32
ABL1 P00519 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
MTOR P42345 1/20 0.31
PRKDC P78527 1/20 0.31
RICTOR Q6R327 1/20 0.31
RPTOR Q8N122 1/20 0.31
MAPKAP1 Q9BPZ7 1/20 0.31
MLST8 Q9BVC4 1/20 0.31

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
SCHEMBL5084882 0.88 IGF1R (0.48) TNK2IGF1R
SCHEMBL5085414 0.87 TNK2 (0.38) TNK2
SCHEMBL5087010 0.85 IGF1R (0.39) TNK2IGF1RPIK3CGPIK3CDPIK3R2
SCHEMBL5085373 0.85 IGF1R (0.43) TNK2IGF1RPIK3CGABL1PIK3CA
SCHEMBL5082589 0.82 IGF1R (0.41) TNK2IGF1RABL1
SCHEMBL401937 0.79 TNK2 (0.41) TNK2IGF1RPIK3CGPIK3CDPIK3R2
SCHEMBL401938 0.79 TNK2 (0.65) TNK2IGF1RPIK3CGPIK3CAPIK3CB
SCHEMBL5086253 0.79 TNK2 (0.50) TNK2IGF1RKLKB1ABL1
SCHEMBL5086140 0.78 TNK2 (0.45) TNK2IGF1R
SCHEMBL5081320 0.73 TNK2 (0.44) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979002-A2 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI Pharmaceuticals, Inc. (US) 2008-10-15 EP disclosed
WO-2008076143-A1 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI PHARMACEUTICALS, INC. (US) 2008-06-26 WO disclosed
WO-2007075554-A2 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI PHARMACEUTICALS, INC. (US) 2007-07-05 WO disclosed