SCHEMBL2913381

SCHEMBL2913381

CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)C2CCC3CN(C(C)C)C2)ncc1Cl.CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)C2CCC3CN(C(C)C)C2)ncc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 15/20 0.63
MET P08581 9/20 0.63
INSR P06213 3/20 0.56
PTK2 Q05397 4/20 0.55
CDC7 O00311 1/20 0.55
PLK4 O00444 1/20 0.55
CHEK1 O14757 1/20 0.55
AURKA O14965 1/20 0.55
DCLK1 O15075 1/20 0.55
MAPK13 O15264 1/20 0.55
PDPK1 O15530 1/20 0.55
DYRK3 O43781 1/20 0.55
JAK2 O60674 1/20 0.55
ROCK2 O75116 1/20 0.55
RPS6KA5 O75582 1/20 0.55
PRKD3 O94806 1/20 0.55
MAP4K4 O95819 1/20 0.55
PAK4 O96013 1/20 0.55
CHEK2 O96017 1/20 0.55
ABL1 P00519 1/20 0.55

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
SCHEMBL884607 1.00 ALK (0.63) ALKMETINSRPTK2CDC7
SCHEMBL884816 0.95 ALK (0.63) ALKMETINSRPTK2CDC7
SCHEMBL884649 0.90 ALK (0.64) ALKMETINSRPTK2CDC7
SCHEMBL884803 0.90 ALK (0.64) ALKMETINSRPTK2CDC7
SCHEMBL2908518 0.90 ALK (0.64) ALKMETINSRPTK2CDC7
SCHEMBL884561 0.88 ALK (0.62) ALKMETINSRPTK2CDC7
SCHEMBL884984 0.88 ALK (0.61) ALKMETINSRPTK2CDC7
SCHEMBL885228 0.88 ALK (0.61) ALKMETINSRPTK2CDC7
SCHEMBL884995 0.87 ALK (0.62) ALKMETINSRPTK2CDC7
SCHEMBL2061469 0.86 ALK (0.59) ALKMETINSRPTK2CDC7

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