SCHEMBL4431367

SCHEMBL4431367

Cn1c2c(cc(-c3ccc(F)c(NC(=O)Nc4cc(C(C)(C)C)nn4CCN4CCN(C(=O)OCc5ccccc5)CC4)c3)c1=O)C=NC(N)N2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.34
MAPK14 Q16539 13/20 0.34
MAPK13 O15264 4/20 0.34
TNF P01375 4/20 0.34
MAPK12 P53778 2/20 0.34
MAPK11 Q15759 2/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
DDR2 Q16832 2/20 0.32
CIT O14578 1/20 0.32
MUSK O15146 1/20 0.32
MAP3K7 O43318 1/20 0.32
RIPK2 O43353 1/20 0.32
STK10 O94804 1/20 0.32
MAP4K4 O95819 1/20 0.32
CHEK2 O96017 1/20 0.32
ABL1 P00519 1/20 0.32
EGFR P00533 1/20 0.32
RAF1 P04049 1/20 0.32

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
SCHEMBL4570024 0.83 BRAF (0.38) ACKR3MAPK14MAPK13TNFMAPK12
SCHEMBL5063064 0.67 BRAF (0.45) MAPK14MAPK13MAPK12MAPK11ABL1
SCHEMBL13718729 0.66 MAPK14 (0.35) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4416685 0.64 BRAF (0.43) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL5057338 0.62 BRAF (0.52) MAPK14MAPK13MAPK12MAPK11RIPK2
SCHEMBL5061639 0.61 BRAF (0.43) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL3884674 0.60 MAPK14 (0.55) MAPK14MAPK13TNFMAPK12MAPK11
SCHEMBL2951303 0.59 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL3876529 0.59 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL4425259 0.59 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11DDR2

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