SCHEMBL2915580

SCHEMBL2915580

CNC(=O)c1ccccc1Nc1nc(Nc2cc3c(cc2OC)N(C)C(=O)OCC3)ncc1C(F)(F)F.COc1cc2c(cc1Nc1ncc(C(F)(F)F)c(Cl)n1)CCOC(=O)N2C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 5/20 0.59
ALK Q9UM73 5/20 0.57
INSR P06213 3/20 0.57
MET P08581 4/20 0.55
MAP4K1 Q92918 5/20 0.54
LRRK2 Q5S007 6/20 0.49
JAK2 O60674 2/20 0.49
KDR P35968 2/20 0.49
PTK2B Q14289 2/20 0.49
CDC7 O00311 1/20 0.49
PLK4 O00444 1/20 0.49
CHEK1 O14757 1/20 0.49
AURKA O14965 1/20 0.49
DCLK1 O15075 1/20 0.49
PDPK1 O15530 1/20 0.49
DAPK3 O43293 1/20 0.49
DYRK3 O43781 1/20 0.49
PRKD3 O94806 1/20 0.49
PAK4 O96013 1/20 0.49
CHEK2 O96017 1/20 0.49

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
SCHEMBL885243 0.96 PTK2 (0.63) PTK2ALKINSRMETMAP4K1
SCHEMBL884998 0.88 ALK (0.69) PTK2ALKINSRMETMAP4K1
SCHEMBL2060956 0.86 LRRK2 (0.49) MAP4K1LRRK2
SCHEMBL885007 0.86 ULK1 (0.62) PTK2ALKINSRMETMAP4K1
SCHEMBL885002 0.86 MAP4K1 (0.68) PTK2ALKINSRMETMAP4K1
SCHEMBL2062394 0.83 LRRK2 (0.49) MAP4K1LRRK2
SCHEMBL884869 0.83 ULK1 (0.62) PTK2ALKINSRMETMAP4K1
SCHEMBL885348 0.78 ALK (0.56) ALKINSRMETMAP4K1LRRK2
SCHEMBL886108 0.78 ULK1 (0.62) PTK2ALKINSREGFRULK1
SCHEMBL885095 0.76 MET (0.78) PTK2ALKINSRMETPTK2B

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