SCHEMBL5547677

SCHEMBL5547677

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N(c1cc(Nc2cnccn2)ncn1)c1ncc[nH]1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.51
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
CASP1 P29466 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CSF1R P07333 3/20 0.48
LCK P06239 8/20 0.47
KIT P10721 2/20 0.47
ABL1 P00519 1/20 0.47
SRC P12931 1/20 0.47
MAPK14 Q16539 1/20 0.47
PIKFYVE Q9Y2I7 2/20 0.46
BTK Q06187 5/20 0.46

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
SCHEMBL17603567 0.89 LCK (0.49) BRAFCSF1RLCKKITABL1
SCHEMBL5648242 0.80 RAF1 (0.53) BRAF
SCHEMBL1830846 0.79 BRAF (0.47) BRAFBTK
SCHEMBL13269850 0.79 LCK (0.46) BRAFLCKABL1SRCMAPK14
SCHEMBL19666704 0.78 ABL1 (0.51) LCKABL1
SCHEMBL1824860 0.73 BRAF (0.58) BRAFCSF1RLCKSRC
SCHEMBL4964301 0.72 LCK (0.57) BRAFLCKSRC
SCHEMBL3241890 0.71 BRAF (0.67) BRAFCSF1RKITPIKFYVE
SCHEMBL16180799 0.71 LCK (0.58) BRAFLCKSRCMAPK14BTK
SCHEMBL4962465 0.70 LCK (0.61) BRAFLCKSRCMAPK14

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-1758892-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-03-07 EP disclosed
WO-2005123719-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-12-29 WO disclosed