SCHEMBL4769716

SCHEMBL4769716

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

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 2/20 0.55
MAP4K2 Q12851 2/20 0.55
KDR P35968 18/20 0.55
BRAF P15056 10/20 0.53
MAPK14 Q16539 9/20 0.53
TNNI3K Q59H18 9/20 0.53

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
SCHEMBL4766035 0.90 KDR (0.64) MAP3K7MAP4K2KDRBRAFMAPK14
SCHEMBL4766055 0.90 MAP3K7 (0.69) MAP3K7MAP4K2KDRBRAFMAPK14
SCHEMBL4929645 0.85 KDR (0.65) MAP3K7MAP4K2KDRBRAFMAPK14
SCHEMBL13528824 0.83 SRC (0.60) KDRBRAFMAPK14TNNI3K
SCHEMBL4766143 0.81 KDR (0.61) MAP3K7MAP4K2KDRBRAFMAPK14
SCHEMBL4763219 0.81 KDR (0.69) MAP3K7MAP4K2KDRBRAFMAPK14
SCHEMBL4935782 0.79 KDR (0.58) KDRBRAFMAPK14TNNI3K
SCHEMBL4932639 0.79 KDR (0.64) MAP3K7MAP4K2KDRBRAFMAPK14
SCHEMBL4933188 0.79 KDR (0.59) KDRBRAFMAPK14TNNI3K
SCHEMBL3173197 0.79 KDR (0.59) MAP3K7MAP4K2KDRBRAFMAPK14

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 disclosed