SCHEMBL2914656

SCHEMBL2914656

CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)C2CCC3CN(C(=O)C(F)(F)F)C2)ncc1Cl.CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)C2CCC3CNC2)ncc1Cl

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 14/20 0.59
ALK Q9UM73 14/20 0.59
MAPK8 P45983 1/20 0.54
MAPK9 P45984 1/20 0.54
MAPK10 P53779 1/20 0.54
ULK1 O75385 1/20 0.53
INSR P06213 2/20 0.53
PTK2 Q05397 2/20 0.52
IGF1R P08069 1/20 0.52
PTK2B Q14289 1/20 0.52
PKMYT1 Q99640 1/20 0.52
EGFR P00533 1/20 0.52
SLC2A1 P11166 1/20 0.52

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
SCHEMBL2062015 0.96 ALK (0.61) METALKMAPK8MAPK9MAPK10
SCHEMBL2060554 0.90 MET (0.70) METALKMAPK8MAPK9MAPK10
SCHEMBL885001 0.87 ALK (0.71) METALKMAPK8MAPK9MAPK10
SCHEMBL2915592 0.86 MET (0.67) METALKMAPK8MAPK9MAPK10
SCHEMBL884620 0.84 MET (0.64) METALKMAPK8MAPK9MAPK10
SCHEMBL885245 0.84 MET (0.63) METALKMAPK8MAPK9MAPK10
SCHEMBL885950 0.84 MET (0.63) METALKMAPK8MAPK9MAPK10
SCHEMBL2061469 0.83 ALK (0.59) METALKMAPK8MAPK9MAPK10
SCHEMBL2908836 0.83 ALK (0.55) METALKEGFR
SCHEMBL2061692 0.83 ALK (0.55) METALKEGFR

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