SCHEMBL2909037

SCHEMBL2909037

CNC(=O)c1sc(C(=O)CC(C)(C)C)cc1Nc1nc(Nc2ccc3c(c2)CCOC(=O)N3C)ncc1Cl

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
INSR P06213 15/20 0.54
MET P08581 13/20 0.54
ALK Q9UM73 8/20 0.54
IGF1R P08069 1/20 0.42
PTK2 Q05397 1/20 0.42
PTK2B Q14289 1/20 0.42
PKMYT1 Q99640 1/20 0.42
SLC2A1 P11166 1/20 0.41

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
SCHEMBL885017 0.89 INSR (0.58) INSRMETALKIGF1RPTK2
SCHEMBL885116 0.85 INSR (0.59) INSRMETALKIGF1RPTK2
SCHEMBL885095 0.82 MET (0.78) INSRMETALKIGF1RPTK2
SCHEMBL2061516 0.82 INSR (0.54) INSRMETALK
SCHEMBL885128 0.82 INSR (0.54) INSRMETALK
SCHEMBL885082 0.81 INSR (0.53) INSRMETALK
SCHEMBL885054 0.81 INSR (0.54) INSRMETALK
SCHEMBL884974 0.81 MET (0.61) INSRMETALKIGF1RPTK2
SCHEMBL885145 0.81 MET (0.63) INSRMETALKIGF1RPTK2
SCHEMBL885111 0.80 INSR (0.56) 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