SCHEMBL4038564

SCHEMBL4038564

CCCCc1cc(C(=O)Nc2ccc(C)c(Nc3ccnn3-c3cc(NC(=O)CN(C)C)ncn3)c2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.43
LCK P06239 4/20 0.38
LYN P07948 4/20 0.38
SRC P12931 4/20 0.38
KDR P35968 4/20 0.38
HCK P08631 3/20 0.38
INSR P06213 3/20 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
SCHEMBL3593604 0.86 MAPK14 (0.44) MAPK14LCKLYNSRCKDR
SCHEMBL4038573 0.85 LCK (0.38) MAPK14LCKLYNSRCKDR
SCHEMBL4039604 0.82 MAPK14 (0.58) MAPK14LCKLYNSRCKDR
SCHEMBL4044843 0.78 MAPK14 (0.43) MAPK14LCKLYNSRCKDR
SCHEMBL4038897 0.78 MAPK14 (0.46) MAPK14LCKLYNSRCKDR
SCHEMBL4043676 0.76 MAPK14 (0.44) MAPK14LCKLYNSRCKDR
SCHEMBL3591361 0.74 LMNA (0.48) MAPK14
SCHEMBL3598459 0.74 MAPK14 (0.49) MAPK14
SCHEMBL3596225 0.74 MAPK14 (0.47) MAPK14LCKLYNSRCKDR
SCHEMBL9967420 0.73 LCK (0.51) MAPK14LCKLYNSRCKDR

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