SCHEMBL4382403

SCHEMBL4382403

Nc1cc(Oc2ccc(NC(=O)NC3CC3c3ccccc3)cc2)ncn1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.55
CNR1 P21554 1/20 0.55
KDR P35968 9/20 0.54
TNNI3K Q59H18 8/20 0.54
MAPK14 Q16539 6/20 0.54
BRAF P15056 3/20 0.54
EPHX2 P34913 1/20 0.49
CSF1R P07333 1/20 0.42
IDH1 O75874 1/20 0.42
EPHX1 P07099 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
BTK Q06187 1/20 0.40

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
SCHEMBL3174410 1.00 MET (0.55) METCNR1KDRTNNI3KMAPK14
SCHEMBL3167471 0.84 KDR (0.57) METCNR1KDRTNNI3KMAPK14
SCHEMBL3167479 0.84 KDR (0.57) METCNR1KDRTNNI3KMAPK14
SCHEMBL1896470 0.83 KDR (0.73) KDRTNNI3KMAPK14BRAFCSF1R
SCHEMBL1894993 0.75 KDR (0.69) METKDRTNNI3KMAPK14BRAF
SCHEMBL22834156 0.72 CNR1 (1.00) METCNR1EPHX2IDH1EPHX1
SCHEMBL22834265 0.72 CNR1 (1.00) METCNR1EPHX2IDH1EPHX1
SCHEMBL22834153 0.72 CNR1 (1.00) METCNR1EPHX2IDH1EPHX1
SCHEMBL12376538 0.71 MET (1.00) METCNR1KDRTNNI3KMAPK14
SCHEMBL12410273 0.71 MET (0.65) METCNR1KDREPHX2IDH1

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-1511730-B8 DIARYL UREA DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2009-04-08 EP disclosed
EP-1511730-A2 DIARYL UREA DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2005-03-09 EP disclosed
WO-2003099771-A2 DIARYL UREA DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2003-12-04 WO disclosed