SCHEMBL5143544

SCHEMBL5143544

CCN(CC)OC(=O)C1CCC(n2nc(-c3cc4nc(-c5cccs5)ccc4cc3Cl)c3c(N)ncnc32)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 12/20 0.41
EGFR P00533 7/20 0.40
IGF1R P08069 4/20 0.40
ERBB2 P04626 3/20 0.40
ERBB3 P21860 2/20 0.40
ERBB4 Q15303 2/20 0.40
KDR P35968 4/20 0.39
LCK P06239 2/20 0.38
CSK P41240 2/20 0.38
PIK3CD O00329 4/20 0.38
PIK3CA P42336 4/20 0.38
PIK3CB P42338 4/20 0.38
PIK3CG P48736 4/20 0.38
PRKDC P78527 4/20 0.38
ABL1 P00519 3/20 0.38
HCK P08631 3/20 0.38
MTOR P42345 3/20 0.38
EPHB4 P54760 3/20 0.38
PI4KB Q9UBF8 2/20 0.38
RET P07949 1/20 0.38

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
SCHEMBL400087 0.88 KDR (0.43) SRCEGFRIGF1RERBB2ERBB3
SCHEMBL399508 0.87 KDR (0.46) SRCEGFRIGF1RERBB2ERBB3
SCHEMBL401211 0.84 KDR (0.51) SRCEGFRKDRPIK3CDPIK3CA
Carbamic Acid SCHEMBL19244765 0.83 PIK3CD (0.49) SRCEGFRKDRPIK3CDPIK3CA
SCHEMBL397895 0.83 PIK3CD (0.43) SRCEGFRIGF1RERBB2ERBB3
SCHEMBL19244753 0.82 RET (0.48) SRCEGFRKDRPIK3CDPIK3CA
SCHEMBL397959 0.81 PIK3CD (0.42) SRCEGFRIGF1RERBB2ERBB3
SCHEMBL402172 0.80 PIK3CD (0.38) SRCEGFRIGF1RERBB2ERBB3
SCHEMBL5137831 0.79 PIK3CD (0.41) SRCEGFRKDRPIK3CDPIK3CA
SCHEMBL402364 0.77 IGF1R (0.40) SRCEGFRIGF1RERBB2ERBB3

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