SCHEMBL1846233

SCHEMBL1846233

CCN(C=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2)ccn1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 18/20 0.66
RIPK2 O43353 1/20 0.66
KDR P35968 1/20 0.65
MAPK14 Q16539 3/20 0.62
MAPK13 O15264 2/20 0.62
MAPK12 P53778 1/20 0.62
MAPK11 Q15759 1/20 0.62

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
SCHEMBL1843675 0.89 RAF1 (0.68) RAF1RIPK2KDRMAPK14MAPK13
SCHEMBL1843969 0.85 RAF1 (0.67) RAF1RIPK2KDRMAPK14MAPK13
SCHEMBL938059 0.82 RAF1 (0.78) RAF1RIPK2KDRMAPK14MAPK13
SCHEMBL8737927 0.81 RAF1 (0.77) RAF1RIPK2KDRMAPK14MAPK13
SCHEMBL668459 0.80 RAF1 (1.00) RAF1RIPK2KDRMAPK14MAPK13
SCHEMBL939254 0.79 RAF1 (0.80) RAF1RIPK2KDRMAPK14MAPK13
SCHEMBL1843679 0.79 RAF1 (0.70) RAF1RIPK2KDRMAPK14MAPK13
SCHEMBL13234850 0.79 RAF1 (1.00) RAF1RIPK2KDRMAPK14MAPK13
SCHEMBL938806 0.78 FLT3 (0.55) RAF1RIPK2KDRMAPK14MAPK13
SCHEMBL1846237 0.78 RAF1 (0.67) RAF1RIPK2KDRMAPK14MAPK13

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-2324825-A1 Aryl ureas with angiogenesis inhibiting activity Bayer Healthcare LLC (US) 2011-05-25 EP claimed
EP-2324825-A1 Aryl ureas with angiogenesis inhibiting activity Bayer Healthcare LLC (US) 2011-05-25 EP disclosed