SCHEMBL4552970

SCHEMBL4552970

CNc1ncc2cc(-c3cc(NC(=O)NCCc4cccnc4)c(F)cc3C)c(=O)n(C)c2n1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.73
RAF1 P04049 7/20 0.73
KDR P35968 6/20 0.51
KRAS P01116 5/20 0.51
SRC P12931 4/20 0.51
ABL1 P00519 3/20 0.51
ARAF P10398 2/20 0.51
MAPK14 Q16539 2/20 0.51
MAPK13 O15264 1/20 0.51
FYN P06241 1/20 0.51
EPHA2 P29317 1/20 0.51
CSK P41240 1/20 0.51
MAPK8 P45983 1/20 0.51
MAPK9 P45984 1/20 0.51
IRAK1 P51617 1/20 0.51
MAPK12 P53778 1/20 0.51
MAPK10 P53779 1/20 0.51
EPHB4 P54760 1/20 0.51
MAP2K5 Q13163 1/20 0.51
MAP3K1 Q13233 1/20 0.51

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
SCHEMBL4552969 0.83 BRAF (0.62) BRAFRAF1KDRKRASSRC
SCHEMBL4553048 0.81 BRAF (0.71) BRAFRAF1KDRKRASSRC
SCHEMBL5065201 0.80 BRAF (0.69) BRAFRAF1KDRKRASSRC
SCHEMBL4432549 0.79 BRAF (0.73) BRAFRAF1KDRKRASSRC
SCHEMBL5063022 0.79 RAF1 (0.68) BRAFRAF1SRCABL1MAPK14
SCHEMBL5065339 0.79 RAF1 (0.68) BRAFRAF1SRCABL1MAPK14
SCHEMBL5065267 0.79 BRAF (0.68) BRAFRAF1KDRKRASSRC
SCHEMBL4422767 0.79 BRAF (0.68) BRAFRAF1KDRKRASSRC
SCHEMBL4278984 0.79 BRAF (0.68) BRAFRAF1KDRKRASSRC
SCHEMBL5062552 0.78 BRAF (0.66) BRAFRAF1KDRKRASSRC

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 claimed
WO-2008034008-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC. (US) 2008-03-20 WO claimed