SCHEMBL3828822

SCHEMBL3828822

CNc1ncc2c(C)n(-c3cc(NC(=O)c4cc(N5CCOCC5)cc(C(F)(F)F)c4)cc(OC)c3)c(=O)nc2n1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.49
RAF1 P04049 13/20 0.49
TNK2 Q07912 1/20 0.46
MAP4K2 Q12851 1/20 0.46
CSF1R P07333 4/20 0.45
DAPK1 P53355 2/20 0.45
MAPK14 Q16539 1/20 0.44

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
SCHEMBL3827876 0.91 RAF1 (0.48) BRAFRAF1TNK2MAP4K2CSF1R
SCHEMBL3825775 0.86 TNK2 (0.56) BRAFRAF1TNK2MAP4K2CSF1R
SCHEMBL3825382 0.86 LCK (0.51) BRAFRAF1MAPK14
SCHEMBL3825076 0.80 LCK (0.49) BRAFRAF1CSF1RDAPK1MAPK14
SCHEMBL3827892 0.79 TNK2 (0.56) BRAFRAF1TNK2MAP4K2CSF1R
SCHEMBL3137374 0.79 TNK2 (0.66) BRAFRAF1TNK2MAP4K2CSF1R
SCHEMBL3829466 0.79 CSF1R (0.61) BRAFRAF1TNK2MAP4K2CSF1R
SCHEMBL3827191 0.78 BTK (0.52) BRAFRAF1CSF1RDAPK1
SCHEMBL3129999 0.77 TNK2 (0.56) BRAFRAF1TNK2MAP4K2CSF1R
SCHEMBL3832182 0.77 MAPT (0.50) BRAFRAF1TNK2MAP4K2CSF1R

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651648-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-09-02 EP claimed
JP-2007500725-A 2007-01-18 JP claimed
EP-1651648-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-03 EP claimed
WO-2005011597-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-02-10 WO claimed
EP-1651648-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-09-02 EP disclosed
EP-1651648-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-03 EP disclosed
WO-2005011597-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-02-10 WO disclosed