SCHEMBL1396019

SCHEMBL1396019

CC(C)(C)c1cccc(NC(=O)Nc2ccc(Oc3cccc(CC(N)=O)c3)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 3/20 0.64
MAPK14 Q16539 7/20 0.53
BRAF P15056 6/20 0.53
KDR P35968 4/20 0.53
TNNI3K Q59H18 4/20 0.53
NPC1 O15118 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
STAT1 P42224 1/20 0.52
HTT P42858 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
FAAH O00519 1/20 0.48
CDK8 P49336 4/20 0.48
CDK7 P50613 1/20 0.48
CDK6 Q00534 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48

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
SCHEMBL1846790 0.81 RAF1 (0.72) RAF1MAPK14KDRNPC1RAB9A
SCHEMBL1846138 0.81 MAPK14 (0.49) RAF1MAPK14BRAFMAPK13
SCHEMBL1846785 0.80 RAF1 (0.64) RAF1MAPK14CDK8MAPK13
SCHEMBL938903 0.78 RAF1 (1.00) RAF1MAPK14BRAFKDRTNNI3K
SCHEMBL1506321 0.78 RAF1 (0.74) RAF1MAPK14BRAFKDRTNNI3K
SCHEMBL1506293 0.78 RAF1 (0.67) RAF1MAPK14BRAFKDRTNNI3K
SCHEMBL1396018 0.76 RAF1 (0.63) RAF1MAPK14BRAFKDRTNNI3K
SCHEMBL7558282 0.75 FFAR1 (0.55) MAPK14HTTFAAH
SCHEMBL12993349 0.74 CYP1A2 (0.55) LMNAMAPTMAPK1CA2
SCHEMBL32675964 0.74 RAF1 (0.65) RAF1MAPK14BRAFKDRTNNI3K

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-2324825-A1 Aryl ureas with angiogenesis inhibiting activity Bayer Healthcare LLC (US) 2011-05-25 EP claimed
EP-1478358-B1 Sorafenib tosylate for the treatment of diseases characterized by abnormal angiogenesis BAYER HEALTHCARE LLC (US) 2013-07-03 EP disclosed
EP-2324825-A1 Aryl ureas with angiogenesis inhibiting activity Bayer Healthcare LLC (US) 2011-05-25 EP disclosed
EP-2289515-A2 Combinations comprising a diaryl urea and an interferon Bayer HealthCare LLC (US) 2011-03-02 EP disclosed