SCHEMBL3543407

SCHEMBL3543407

CNC(=O)c1cc(Oc2ccc(CCC(=O)Nc3cnc4ccccc4n3)cc2)ccn1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRAF P15056 15/20 0.57
RAF1 P04049 8/20 0.57
KDR P35968 4/20 0.48
MAPK14 Q16539 1/20 0.46
CSF1R P07333 1/20 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
SCHEMBL3550254 0.87 BRAF (0.59) BRAFRAF1KDRMAPK14CSF1R
SCHEMBL3551325 0.84 BRAF (0.68) BRAFRAF1KDRMAPK14
SCHEMBL3545659 0.81 RAF1 (0.59) BRAFRAF1KDRMAPK14CSF1R
SCHEMBL3538127 0.79 RAF1 (0.67) BRAFRAF1KDRMAPK14CSF1R
SCHEMBL3549837 0.79 RAF1 (0.67) BRAFRAF1KDRMAPK14CSF1R
SCHEMBL3546107 0.78 RAF1 (0.66) BRAFRAF1KDRMAPK14CSF1R
SCHEMBL3545160 0.78 RAF1 (0.74) BRAFRAF1KDRMAPK14CSF1R
SCHEMBL6472882 0.78 ABL1 (0.59) BRAFRAF1KDRMAPK14CSF1R
SCHEMBL3550019 0.78 RAF1 (0.71) BRAFRAF1KDRMAPK14CSF1R
SCHEMBL3543031 0.78 BRAF (0.60) BRAFRAF1KDRMAPK14CSF1R

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
US-7652041-B2 4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridino-2-carboxamido: N-methyl-4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridine-2-carboxamide: Raf-kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-01-26 US claimed
US-7652041-B2 4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridino-2-carboxamido: N-methyl-4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridine-2-carboxamide: Raf-kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-01-26 US disclosed
US-7652041-B2 4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridino-2-carboxamido: N-methyl-4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridine-2-carboxamide: Raf-kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-01-26 US disclosed