SCHEMBL4552455

SCHEMBL4552455

Cn1c(=O)c(-c2ccc(F)c(NC(=O)Nc3cnn(C(C)(C)C)c3)c2)cc2cnc(NS(C)(=O)=O)cc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.46
BRAF P15056 7/20 0.46
RAF1 P04049 6/20 0.46
KRAS P01116 5/20 0.46
MAP2K2 P36507 3/20 0.46
MAP2K1 Q02750 3/20 0.46
KIT P10721 1/20 0.38
PDGFRA P16234 1/20 0.38
PDGFRB P09619 1/20 0.38
FGFR1 P11362 6/20 0.37
FGFR4 P22455 2/20 0.36
SRC P12931 4/20 0.35
ABL1 P00519 1/20 0.35

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
SCHEMBL5057735 0.91 BRAF (0.55) KDRBRAFRAF1KRASMAP2K2
SCHEMBL5061797 0.81 KDR (0.54) KDRBRAFRAF1KRASMAP2K2
SCHEMBL5061871 0.80 BRAF (0.53) KDRBRAFRAF1KRASMAP2K2
SCHEMBL5057392 0.79 BRAF (0.40) KDRBRAFRAF1KRASMAP2K2
SCHEMBL5061668 0.79 KIT (0.50) KDRBRAFRAF1KRASMAP2K2
SCHEMBL4431807 0.79 BRAF (0.57) KDRBRAFRAF1KRASMAP2K2
SCHEMBL5057703 0.78 BRAF (0.39) KDRBRAFRAF1KRASMAP2K2
SCHEMBL5061319 0.78 BRAF (0.55) KDRBRAFRAF1KRASMAP2K2
SCHEMBL5062705 0.77 BRAF (0.55) KDRBRAFRAF1KRASMAP2K2
SCHEMBL5057552 0.76 BRAF (0.53) KDRBRAFRAF1KRASMAP2K2

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