SCHEMBL2913579

SCHEMBL2913579

Cc1c(Br)sc(C(=O)O)c1Nc1nc(Nc2ccc3c(c2)CCOC(=O)N3C)ncc1Cl

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
INSR P06213 12/20 0.49
MET P08581 10/20 0.49
ALK Q9UM73 6/20 0.47
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
EGFR P00533 2/20 0.39
BRD4 O60885 1/20 0.39
MAPK3 P27361 1/20 0.39

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
SCHEMBL885082 0.93 INSR (0.53) INSRMETALK
SCHEMBL15403913 0.92 INSR (0.50) INSRMETALKMAPK9MAPK10
SCHEMBL2908827 0.92 INSR (0.50) INSRMETALKMAPK9MAPK10
SCHEMBL16966162 0.86 INSR (0.48) INSRMETALK
SCHEMBL15404108 0.86 INSR (0.50) INSRMETALKMAPK9MAPK10
SCHEMBL2061516 0.85 INSR (0.54) INSRMETALK
SCHEMBL885128 0.85 INSR (0.54) INSRMETALK
SCHEMBL885354 0.84 INSR (0.49) INSRMETALKMAPK9MAPK10
SCHEMBL16966152 0.81 INSR (0.48) INSRMETALKMAPK9MAPK10
SCHEMBL885054 0.81 INSR (0.54) INSRMETALK

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