SCHEMBL4552591

SCHEMBL4552591

Cc1cc(F)c(NC(=O)Nc2cc(C(C)(C)C)no2)cc1-c1cc2cnc(N(O)C(C)C)nc2n(C(C)C)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.45
RAF1 P04049 8/20 0.45
KDR P35968 7/20 0.45
KRAS P01116 6/20 0.45
MAP2K2 P36507 5/20 0.45
MAP2K1 Q02750 5/20 0.45
MAPK14 Q16539 8/20 0.40
MAPK13 O15264 3/20 0.40
ALDH1A1 P00352 1/20 0.36
ARAF P10398 2/20 0.35
ABL1 P00519 1/20 0.35
FYN P06241 1/20 0.35
SRC P12931 1/20 0.35
EPHA2 P29317 1/20 0.35
CSK P41240 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
IRAK1 P51617 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK10 P53779 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
SCHEMBL5065436 0.87 BRAF (0.57) BRAFRAF1KDRKRASMAP2K2
SCHEMBL5065293 0.87 BRAF (0.47) BRAFRAF1KDRKRASMAP2K2
SCHEMBL4552592 0.86 BRAF (0.49) BRAFRAF1KDRKRASMAP2K2
SCHEMBL4552593 0.86 BRAF (0.49) BRAFRAF1KDRKRASMAP2K2
SCHEMBL4277930 0.81 BRAF (0.63) BRAFRAF1KDRKRASMAP2K2
SCHEMBL5062732 0.79 BRAF (0.54) BRAFRAF1KDRKRASMAP2K2
SCHEMBL5062602 0.79 BRAF (0.55) BRAFRAF1KDRKRASMAP2K2
SCHEMBL5061840 0.78 BRAF (0.69) BRAFRAF1KDRKRASMAP2K2
SCHEMBL4423737 0.77 BRAF (0.56) BRAFRAF1KDRKRASMAP2K2
SCHEMBL5061446 0.77 BRAF (0.56) BRAFRAF1KDRKRASMAP2K2

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