SCHEMBL4039607

SCHEMBL4039607

CCCCc1cnccc1C(=O)Nc1ccc(C)c(Nc2ccnn2-c2cc(NCCN3CCOCC3)ncn2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.48
BRAF P15056 2/20 0.41
LCK P06239 6/20 0.40
INSR P06213 5/20 0.40
LYN P07948 5/20 0.40
SRC P12931 5/20 0.40
KDR P35968 5/20 0.40
HCK P08631 4/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
MERTK Q12866 1/20 0.38

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
SCHEMBL4039604 0.86 MAPK14 (0.58) MAPK14BRAFLCKINSRLYN
SCHEMBL4038573 0.83 LCK (0.38) MAPK14LCKINSRLYNSRC
SCHEMBL9967406 0.81 MAPK14 (0.56) MAPK14BRAFLCKINSRLYN
SCHEMBL3588131 0.81 MAPK14 (0.52) MAPK14BRAFLCKINSRLYN
SCHEMBL3592143 0.80 MAPK14 (0.58) MAPK14BRAFLCKINSRLYN
SCHEMBL3588437 0.79 LCK (0.63) MAPK14BRAFLCKINSRLYN
SCHEMBL4039605 0.77 MAPK14 (0.43) MAPK14BRAFLCKINSRLYN
SCHEMBL3586792 0.74 MAPK14 (0.53) MAPK14BRAFLCKINSRLYN
SCHEMBL13267710 0.74 MAPK14 (0.47) MAPK14BRAFLCKINSRLYN
SCHEMBL3590978 0.74 MAPK14 (0.50) MAPK14BRAFLCKINSRLYN

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 4 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
EP-2057146-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-05-13 EP disclosed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 WO disclosed