SCHEMBL4044843

SCHEMBL4044843

CCCCc1cc(C(=O)Nc2ccc(C)c(Nc3cc(CN(C)CCO)nn3-c3cc(NC)ncn3)c2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.43
LCK P06239 9/20 0.38
LYN P07948 9/20 0.38
SRC P12931 9/20 0.38
KDR P35968 9/20 0.38
HCK P08631 8/20 0.38
INSR P06213 8/20 0.38
BRAF P15056 1/20 0.36

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
SCHEMBL3590882 0.88 MAPK14 (0.42) MAPK14LCKLYNSRCKDR
SCHEMBL4044845 0.86 LCK (0.36) MAPK14LCKLYNSRCKDR
SCHEMBL3591365 0.85 RAF1 (0.46) BRAF
SCHEMBL3587353 0.82 LCK (0.40) LCKLYNSRCKDRHCK
SCHEMBL3591882 0.82 BRAF (0.51) LCKLYNSRCKDRHCK
SCHEMBL4044844 0.80 PDE10A (0.35) MAPK14
SCHEMBL4041365 0.79 MAPK14 (0.44) MAPK14LCKLYNSRCKDR
SCHEMBL3585793 0.78 LCK (0.38) MAPK14LCKLYNSRCKDR
SCHEMBL4038564 0.78 MAPK14 (0.43) MAPK14LCKLYNSRCKDR
SCHEMBL3589191 0.77 LCK (0.45) LCKLYNSRCKDRHCK

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