SCHEMBL4045689

SCHEMBL4045689

Cc1cc(Nc2cc(NC(=O)c3cccc(CC(C)O)c3)ccc2C)n(-c2cc(NCCN3CCOCC3)ncn2)n1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.51
LCK P06239 10/20 0.48
LYN P07948 9/20 0.48
SRC P12931 9/20 0.48
KDR P35968 9/20 0.48
INSR P06213 8/20 0.48
HCK P08631 7/20 0.48
BRAF P15056 2/20 0.46

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
SCHEMBL9967441 0.90 MAPK14 (0.54) MAPK14LCKLYNSRCKDR
SCHEMBL4044422 0.90 MAPK14 (0.55) MAPK14LCKLYNSRCKDR
SCHEMBL3589946 0.89 MAPK14 (0.53) MAPK14LCKLYNSRCKDR
SCHEMBL3580355 0.88 MAPK14 (0.51) MAPK14LCKLYNSRCKDR
SCHEMBL3594987 0.87 LCK (0.63) MAPK14LCKLYNSRCKDR
SCHEMBL3583316 0.87 LCK (0.55) MAPK14LCKLYNSRCKDR
SCHEMBL3592111 0.86 LCK (0.58) MAPK14LCKLYNSRCKDR
SCHEMBL4044337 0.86 MAPK14 (0.47) MAPK14LCKLYNSRCKDR
SCHEMBL3597693 0.86 LCK (0.52) MAPK14LCKLYNSRCKDR
SCHEMBL9967440 0.85 MAPK14 (0.54) 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