SCHEMBL4766035

SCHEMBL4766035

CN1CCN(c2cc(NC(=O)Nc3ccc(Oc4cc(N)ncn4)cc3)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.64
MAPK14 Q16539 10/20 0.64
TNNI3K Q59H18 10/20 0.64
BRAF P15056 10/20 0.64
MAP3K7 O43318 2/20 0.54
MAP4K2 Q12851 2/20 0.54

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
SCHEMBL4766143 0.91 KDR (0.61) KDRMAPK14TNNI3KBRAFMAP3K7
SCHEMBL4769716 0.90 MAP3K7 (0.55) KDRMAPK14TNNI3KBRAFMAP3K7
SCHEMBL4766055 0.89 MAP3K7 (0.69) KDRMAPK14TNNI3KBRAFMAP3K7
SCHEMBL4769351 0.86 KDR (0.64) KDRMAPK14TNNI3KBRAFMAP3K7
SCHEMBL13528824 0.83 SRC (0.60) KDRMAPK14TNNI3KBRAF
SCHEMBL4939906 0.80 KDR (0.71) KDRMAPK14TNNI3KBRAF
SCHEMBL4763219 0.80 KDR (0.69) KDRMAPK14TNNI3KBRAFMAP3K7
SCHEMBL4936701 0.80 KDR (0.73) KDRMAPK14TNNI3KBRAF
SCHEMBL4932660 0.79 KDR (0.66) KDRMAPK14TNNI3KBRAFMAP3K7
SCHEMBL4762311 0.79 KDR (0.67) KDRMAPK14TNNI3KBRAFMAP3K7

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