SCHEMBL4552350

SCHEMBL4552350

CNc1cc2c(cn1)cc(-c1ccc(F)c(NC(N)=O)c1)c(=O)n2C1CC[C@@H](O)C1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.56
KRAS P01116 4/20 0.56
RAF1 P04049 4/20 0.56
KDR P35968 4/20 0.56
MAP2K2 P36507 3/20 0.56
MAP2K1 Q02750 3/20 0.56
PIK3CA P42336 7/20 0.42
KIT P10721 1/20 0.42
PDGFRA P16234 1/20 0.42
BTK Q06187 5/20 0.40
SRC P12931 5/20 0.39
LYN P07948 4/20 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
SCHEMBL5057563 0.88 BRAF (0.55) BRAFKRASRAF1KDRMAP2K2
SCHEMBL5065371 0.84 BRAF (0.81) BRAFKRASRAF1KDRMAP2K2
SCHEMBL5062468 0.79 BRAF (0.59) BRAFKRASRAF1KDRMAP2K2
SCHEMBL4279929 0.77 BRAF (0.53) BRAFKRASRAF1KDRMAP2K2
SCHEMBL5061367 0.76 BRAF (0.52) BRAFKRASRAF1KDRMAP2K2
SCHEMBL4423666 0.74 BRAF (0.85) BRAFKRASRAF1KDRMAP2K2
SCHEMBL22538095 0.73 BRAF (0.73) BRAFKRASRAF1KDRMAP2K2
SCHEMBL4422853 0.72 BRAF (0.66) BRAFKRASRAF1KDRMAP2K2
SCHEMBL4427855 0.72 BRAF (0.65) BRAFKRASRAF1KDRMAP2K2
SCHEMBL27218164 0.72 BRAF (1.00) BRAFKRASRAF1KDRMAP2K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2063897-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Deciphera Pharmaceuticals, LLC. (US) 2009-06-03 EP disclosed
WO-2008034008-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC. (US) 2008-03-20 WO disclosed