SCHEMBL5083787

SCHEMBL5083787

CNC(=O)C1CCC(c2ncc3c(N)nc(-c4ccc5ccc(Nc6ccccc6)nc5c4)cn23)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 1/20 0.42
IGF1R P08069 4/20 0.40
PIP5K1C O60331 6/20 0.40
PIK3CA P42336 6/20 0.40
ABL1 P00519 2/20 0.39
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
JAK2 O60674 1/20 0.36
PIK3CD O00329 1/20 0.36
PIP5K1B O14986 1/20 0.36
PDGFRB P09619 1/20 0.36
PIK3CB P42338 1/20 0.36
PI4KA P42356 1/20 0.36
PIK3CG P48736 1/20 0.36
PDK1 Q15118 1/20 0.36
PIP5K1A Q99755 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
ACVRL1 P37023 1/20 0.36
MAPK8 P45983 2/20 0.35
MAPK10 P53779 2/20 0.35

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
SCHEMBL5080636 0.91 IGF1R (0.48) TNK2IGF1RPIP5K1CPIK3CAABL1
SCHEMBL5086076 0.86 IGF1R (0.44) TNK2IGF1RABL1ADORA2AADORA1
SCHEMBL5086253 0.85 TNK2 (0.50) TNK2IGF1RABL1
SCHEMBL5080364 0.84 IGF1R (0.36) TNK2IGF1RADORA2AADORA1
SCHEMBL5082567 0.83 IGF1R (0.44) TNK2IGF1RADORA2AADORA1JAK2
SCHEMBL5083298 0.82 IGF1R (0.40) TNK2IGF1RADORA2AADORA1
SCHEMBL4073244 0.79 IGF1R (0.51) TNK2IGF1R
SCHEMBL5087010 0.79 IGF1R (0.39) TNK2IGF1RABL1PIK3CDPIK3CG
SCHEMBL400509 0.79 TNK2 (0.67) TNK2IGF1R
SCHEMBL5084882 0.76 IGF1R (0.48) TNK2IGF1RSMN1; SMN2

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
WO-2008076143-A1 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI PHARMACEUTICALS, INC. (US) 2008-06-26 WO disclosed