SCHEMBL4047769

SCHEMBL4047769

Cc1ccc(NC(=O)Nc2c(I)c(C(C)(C)C)nn2-c2cccc(CC(N)=O)c2)cc1Nc1nccc(-c2cccnc2)n1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.59
MAPK14 Q16539 2/20 0.59
ABL1 P00519 16/20 0.57
BCR P11274 14/20 0.57
PDGFRA P16234 5/20 0.53
KIT P10721 2/20 0.53
PDGFRB P09619 3/20 0.52
EGFR P00533 2/20 0.50
PRKCA P17252 1/20 0.50
JAK3 P52333 1/20 0.50
BTK Q06187 1/20 0.50
ITK Q08881 1/20 0.50

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
SCHEMBL2082746 0.87 MAPK14 (0.78) BRAFMAPK14ABL1BCRPDGFRA
SCHEMBL2080066 0.80 ABL1 (0.60) BRAFMAPK14ABL1BCRPDGFRA
SCHEMBL2082457 0.80 BRAF (0.74) BRAFMAPK14ABL1BCRPDGFRA
SCHEMBL2080644 0.78 BRAF (0.69) BRAFMAPK14ABL1BCRPDGFRA
SCHEMBL2616946 0.76 MAPK14 (0.61) BRAFMAPK14
SCHEMBL2082627 0.75 BRAF (0.78) BRAFMAPK14ABL1BCRPDGFRA
SCHEMBL4058783 0.74 MAPK14 (0.69) BRAFMAPK14
SCHEMBL29366684 0.74 ABL1 (0.83) BRAFMAPK14ABL1BCRPDGFRA
SCHEMBL28677768 0.74 ABL1 (0.83) BRAFMAPK14ABL1BCRPDGFRA
SCHEMBL23246300 0.72 ABL1 (0.86) ABL1BCRPDGFRAKITPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836173-A4 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS LLC (US) 2009-07-08 EP claimed
EP-1836173-A2 ANTI-INFLAMMATORY MEDICAMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP claimed
WO-2006081034-A2 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-08-03 WO claimed