SCHEMBL5158993

SCHEMBL5158993

COc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1ncc(-c2cccnc2)o1.Cc1ccc(NC(=O)c2cccc(Br)c2)cc1Nc1ncc(-c2cccnc2)o1.Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1Nc1ncc(-c2cccnc2)o1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.50
CSF1R P07333 3/20 0.50
ABL1 P00519 2/20 0.50
BCR P11274 2/20 0.50
PIKFYVE Q9Y2I7 3/20 0.49
MAPK14 Q16539 3/20 0.47
KDR P35968 4/20 0.46
FLT1 P17948 2/20 0.46
FLT4 P35916 2/20 0.46
TEK Q02763 2/20 0.45

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
SCHEMBL544076 0.88 ABL1 (0.62) BRAFCSF1RABL1BCRPIKFYVE
SCHEMBL543652 0.85 BRAF (0.58) BRAFCSF1RABL1BCRMAPK14
SCHEMBL543745 0.83 POLB (0.55) BRAFCSF1RABL1BCRPIKFYVE
SCHEMBL544729 0.78 BRAF (0.60) BRAFCSF1RABL1PIKFYVEMAPK14
SCHEMBL544249 0.78 BRAF (0.56) BRAFCSF1RABL1BCRPIKFYVE
SCHEMBL543756 0.77 CSF1R (0.59) BRAFCSF1RABL1BCRPIKFYVE
SCHEMBL543608 0.75 TSHR (0.60) BRAFCSF1RABL1BCRPIKFYVE
SCHEMBL543733 0.74 BRAF (0.66) BRAFCSF1RPIKFYVEKDRTEK
SCHEMBL544438 0.74 BRAF (0.53) BRAFCSF1RABL1BCRPIKFYVE
SCHEMBL544504 0.73 ABL1 (0.58) ABL1BCRKDR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742633-A2 USE OF C-KIT INHIBITORS FOR TREATING FIBROSIS AB Science (FR) 2007-01-17 EP disclosed
WO-2005115304-A2 USE OF C-KIT INHIBITORS FOR TREATING FIBRODYSPLASIA AB SCIENCE (FR) 2005-12-08 WO disclosed
WO-2005115385-A1 USE OF C-KIT INHIBITORS FOR TREATING ACNE AB SCIENCE (FR) 2005-12-08 WO disclosed
WO-2005102346-A2 USE OF C-KIT INHIBITORS FOR TREATING FIBROSIS AB SCIENCE (FR) 2005-11-03 WO disclosed