SCHEMBL2916976

SCHEMBL2916976

O=S(=O)(c1ccccc1Nc1nc(Nc2ccc3c(c2)CCC(OCNCCO)CC3)ncc1Cl)N1CCC(O)C1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.48
ALK Q9UM73 15/20 0.46
MET P08581 8/20 0.46
PTK2 Q05397 2/20 0.44
INSR P06213 2/20 0.44

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
SCHEMBL885127 0.93 AXL (0.47) AXLALKMETPTK2INSR
SCHEMBL884840 0.93 AXL (0.47) AXLALKMETPTK2INSR
SCHEMBL886706 0.82 INSR (0.66) AXLALKMETINSR
SCHEMBL884893 0.79 ALK (0.60) ALK
SCHEMBL886310 0.78 MET (0.52) AXLALKMETPTK2INSR
SCHEMBL2061330 0.76 ALK (0.57) ALKPTK2INSR
SCHEMBL886704 0.76 ALK (0.75) ALKINSR
SCHEMBL3006211 0.76 AXL (0.56) AXLALKMETPTK2INSR
SCHEMBL24073715 0.76 AXL (0.63) AXLALKMETPTK2INSR
SCHEMBL25834978 0.76 AXL (0.63) AXLALKMETPTK2INSR

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-2222647-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS Cephalon, Inc. (US) 2010-09-01 EP disclosed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 WO disclosed