SCHEMBL4038573

SCHEMBL4038573

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LCK P06239 4/20 0.38
LYN P07948 4/20 0.38
SRC P12931 3/20 0.37
HCK P08631 2/20 0.37
MAPK14 Q16539 14/20 0.36
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
DDR1 Q08345 1/20 0.34
INSR P06213 2/20 0.34
KDR P35968 2/20 0.34

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
SCHEMBL4038564 0.85 MAPK14 (0.43) LCKLYNSRCHCKMAPK14
SCHEMBL4039607 0.83 MAPK14 (0.48) LCKLYNSRCHCKMAPK14
SCHEMBL4044845 0.78 LCK (0.36) LCKLYNSRCHCKMAPK14
SCHEMBL3593604 0.78 MAPK14 (0.44) LCKLYNSRCHCKMAPK14
SCHEMBL4039604 0.68 MAPK14 (0.58) LCKLYNSRCHCKMAPK14
SCHEMBL3590268 0.68 BRAF (0.43) LCKLYNSRCHCKMAPK14
SCHEMBL9967420 0.68 LCK (0.51) LCKLYNSRCHCKMAPK14
SCHEMBL3589592 0.67 BRAF (0.48) LCKLYNSRCHCKINSR
SCHEMBL3589074 0.67 BRAF (0.42) LCKLYNSRCHCKMAPK14
SCHEMBL3591361 0.66 LMNA (0.48) MAPK14

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