SCHEMBL2909096

SCHEMBL2909096

CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)C2CCC3CN(CC#N)C2)ncc1Cl.CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)C2CCC3CN(CC#N)C2)ncc1Cl

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 12/20 0.60
ALK Q9UM73 11/20 0.60
ULK1 O75385 2/20 0.59
EGFR P00533 3/20 0.57
INSR P06213 3/20 0.57
PTK2 Q05397 2/20 0.56
MAPK8 P45983 1/20 0.56
MAPK9 P45984 1/20 0.56
MAPK10 P53779 1/20 0.56
IGF1R P08069 1/20 0.56
PTK2B Q14289 1/20 0.56
PKMYT1 Q99640 1/20 0.56
SLC2A1 P11166 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
SCHEMBL884818 1.00 MET (0.60) METALKULK1EGFRINSR
SCHEMBL884883 0.92 MET (0.60) METALKULK1EGFRINSR
SCHEMBL884620 0.91 MET (0.64) METALKULK1EGFRINSR
SCHEMBL885245 0.89 MET (0.63) METALKULK1EGFRINSR
SCHEMBL884691 0.88 MET (0.71) METALKULK1EGFRINSR
SCHEMBL885001 0.88 ALK (0.71) METALKULK1EGFRINSR
SCHEMBL885950 0.87 MET (0.63) METALKULK1EGFRINSR
SCHEMBL886479 0.86 ALK (0.62) METALKULK1EGFRINSR
SCHEMBL884830 0.86 MET (0.64) METALKULK1EGFRINSR
SCHEMBL2060554 0.86 MET (0.70) METALKULK1EGFRINSR

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