SCHEMBL5080636

SCHEMBL5080636

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 4/20 0.48
TNK2 Q07912 2/20 0.39
ATR Q13535 2/20 0.37
CSF1R P07333 2/20 0.37
ABL1 P00519 1/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
MAP4K1 Q92918 1/20 0.35
CYP3A4 P08684 1/20 0.34
GSK3B P49841 1/20 0.34
JAK2 O60674 1/20 0.34
PIP5K1C O60331 1/20 0.34
PIK3CA P42336 1/20 0.34
POLB P06746 1/20 0.34
ACVRL1 P37023 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL5083787 0.91 TNK2 (0.42) IGF1RTNK2ABL1ADORA2AADORA1
SCHEMBL5083298 0.88 IGF1R (0.40) IGF1RTNK2ATRCSF1RADORA2A
SCHEMBL5087010 0.88 IGF1R (0.39) IGF1RTNK2ATRABL1GSK3B
SCHEMBL5080364 0.86 IGF1R (0.36) IGF1RTNK2ADORA2AADORA1CYP3A4
SCHEMBL5084882 0.84 IGF1R (0.48) IGF1RTNK2CYP3A4
SCHEMBL3040790 0.82 IGF1R (0.51) IGF1RTNK2ATRADORA2AADORA1
SCHEMBL5079162 0.81 IGF1R (0.50) IGF1RTNK2CYP3A4KDM4EMAPT
SCHEMBL4073244 0.80 IGF1R (0.51) IGF1RTNK2CYP3A4
SCHEMBL400874 0.77 IGF1R (0.77) IGF1RTNK2CYP3A4
SCHEMBL5086076 0.77 IGF1R (0.44) IGF1RTNK2ABL1ADORA2AADORA1

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 claimed