SCHEMBL4038162

SCHEMBL4038162

Cc1cc(Nc2cc(NC(=O)c3ccccc3OC(F)F)ccc2C)n(-c2cc(NCCN3CCOCC3)ncn2)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.46
LCK P06239 8/20 0.44
KDR P35968 6/20 0.44
INSR P06213 5/20 0.44
LYN P07948 5/20 0.44
SRC P12931 5/20 0.44
HCK P08631 4/20 0.44
BRAF P15056 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
CHRNA7 P36544 2/20 0.40
KCNH2 Q12809 1/20 0.40
RXFP1 Q9HBX9 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
SCHEMBL3580355 0.89 MAPK14 (0.51) MAPK14LCKKDRINSRLYN
SCHEMBL3597693 0.83 LCK (0.52) MAPK14LCKKDRINSRLYN
SCHEMBL9967441 0.83 MAPK14 (0.54) MAPK14LCKKDRINSRLYN
SCHEMBL9967440 0.83 MAPK14 (0.54) MAPK14LCKKDRINSRLYN
SCHEMBL3585106 0.83 BRAF (0.55) MAPK14LCKKDRINSRLYN
SCHEMBL3586792 0.83 MAPK14 (0.53) MAPK14LCKKDRINSRLYN
SCHEMBL3589946 0.82 MAPK14 (0.53) MAPK14LCKKDRINSRLYN
SCHEMBL3594987 0.82 LCK (0.63) MAPK14LCKKDRINSRLYN
SCHEMBL3584953 0.82 BRAF (0.58) MAPK14LCKKDRINSRLYN
SCHEMBL3589742 0.81 BRAF (0.56) MAPK14LCKKDRINSRLYN

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-2057146-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-05-13 EP claimed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 WO claimed