SCHEMBL4771607

SCHEMBL4771607

CNc1cc(Oc2ccc(NC(=O)Nc3cc(CN4CCCCC4)cc(C(F)(F)F)c3)cc2)ncn1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.70
TNNI3K Q59H18 15/20 0.70
MAPK14 Q16539 14/20 0.70
BRAF P15056 13/20 0.70
MKNK2 Q9HBH9 3/20 0.63
RAF1 P04049 2/20 0.63
MKNK1 Q9BUB5 2/20 0.63
STK25 O00506 1/20 0.63
CIT O14578 1/20 0.63
MAP2K7 O14733 1/20 0.63
IKBKB O14920 1/20 0.63
AURKA O14965 1/20 0.63
GAK O14976 1/20 0.63
CHUK O15111 1/20 0.63
MUSK O15146 1/20 0.63
MAPK13 O15264 1/20 0.63
MAP3K13 O43283 1/20 0.63
DAPK3 O43293 1/20 0.63
MAP3K7 O43318 1/20 0.63
RIPK2 O43353 1/20 0.63

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
SCHEMBL4937968 0.97 KDR (0.69) KDRTNNI3KMAPK14BRAFMKNK2
SCHEMBL4769465 0.93 KDR (0.65) KDRTNNI3KMAPK14BRAFMKNK2
SCHEMBL4937778 0.91 KDR (0.61) KDRTNNI3KMAPK14BRAFMKNK2
SCHEMBL4762311 0.88 KDR (0.67) KDRTNNI3KMAPK14BRAFMKNK2
SCHEMBL4932639 0.86 KDR (0.64) KDRTNNI3KMAPK14BRAFMKNK2
SCHEMBL4932660 0.86 KDR (0.66) KDRTNNI3KMAPK14BRAFMKNK2
SCHEMBL4929725 0.85 KDR (0.72) KDRTNNI3KMAPK14BRAFRAF1
SCHEMBL4929381 0.85 KDR (0.72) KDRTNNI3KMAPK14BRAFRAF1
SCHEMBL4763945 0.84 KDR (0.86) KDRTNNI3KMAPK14BRAFMKNK2
SCHEMBL13991466 0.84 KDR (0.61) KDRTNNI3KMAPK14BRAFMKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1511730-B1 DIARYL UREA DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2008-12-10 EP claimed