SCHEMBL5087010

SCHEMBL5087010

NC(=O)C1CCC(c2ncc3c(N)nc(-c4cc5nc(Nc6ccccc6)ccc5cc4Cl)cn23)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.39
ABL1 P00519 3/20 0.35
TNK2 Q07912 2/20 0.34
TYK2 P29597 1/20 0.33
ATR Q13535 2/20 0.33
VCP P55072 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
DHODH Q02127 1/20 0.32
GSK3B P49841 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3R2 O00459 1/20 0.32
PIK3CG P48736 1/20 0.32
SRC P12931 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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 0.88 IGF1R (0.48) IGF1RABL1TNK2ATRGSK3B
SCHEMBL5081252 0.85 TNK2 (0.42) IGF1RABL1TNK2PIK3CDPIK3R2
SCHEMBL5085373 0.85 IGF1R (0.43) IGF1RABL1TNK2PIK3CGMEN1
SCHEMBL5082589 0.82 IGF1R (0.41) IGF1RABL1TNK2KDM4EMAPT
SCHEMBL5083787 0.79 TNK2 (0.42) IGF1RABL1TNK2GSK3BPIK3CD
SCHEMBL400351 0.79 IGF1R (0.59) IGF1RTNK2PIK3CG
SCHEMBL5083298 0.78 IGF1R (0.40) IGF1RTNK2ATRMAPTMEN1
SCHEMBL5080364 0.73 IGF1R (0.36) IGF1RTNK2CCNA2CDK2CDK5
SCHEMBL5083797 0.73 IGF1R (0.38) IGF1RTNK2
SCHEMBL5084882 0.72 IGF1R (0.48) IGF1RTNK2

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