SCHEMBL3880678

SCHEMBL3880678

CCN1CCN(Cc2ccc(N(C(=O)Nc3ccc(Oc4ncnc5[nH]ccc45)cc3)N(C(=O)Nc3cccc(C(F)(F)F)c3)c3ccc(Oc4ncnc5[nH]ccc45)cc3)cc2C(F)(F)F)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 11/20 0.60
▸ MAP3K7 O43318 10/20 0.60
▸ MAP4K2 Q12851 10/20 0.60
▸ KDR P35968 3/20 0.59
▸ BRAF P15056 2/20 0.59
▸ TNNI3K Q59H18 2/20 0.59
▸ MAP3K20 Q9NYL2 8/20 0.49
▸ FES P07332 4/20 0.49
▸ FER P16591 4/20 0.49
▸ EPHA2 P29317 4/20 0.49
▸ CSK P41240 4/20 0.49
▸ ABL1 P00519 4/20 0.49
▸ MKNK2 Q9HBH9 4/20 0.49
▸ FLT3 P36888 3/20 0.49
▸ MAP4K4 O95819 3/20 0.49
▸ RAF1 P04049 3/20 0.49
▸ LYN P07948 3/20 0.49
▸ SRC P12931 3/20 0.49
▸ EPHB2 P29323 3/20 0.49
▸ ABL2 P42684 3/20 0.49

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
SCHEMBL3880675 0.91 MAPK14 (0.71) MAPK14MAP3K7MAP4K2KDRBRAF
SCHEMBL2848857 0.85 MAPK14 (0.73) MAPK14MAP3K7MAP4K2KDRBRAF
SCHEMBL4791338 0.82 MAP3K7 (0.62) MAPK14MAP3K7MAP4K2KDRBRAF
SCHEMBL14690370 0.77 MAP3K7 (0.85) MAPK14MAP3K7MAP4K2KDRBRAF
SCHEMBL30692256 0.77 MAP3K7 (0.85) MAPK14MAP3K7MAP4K2KDRBRAF
SCHEMBL12999177 0.76 MAPK14 (0.58) MAPK14MAP3K7MAP4K2KDRBRAF
SCHEMBL2848934 0.76 KDR (1.00) MAPK14KDRBRAFTNNI3KFLT3
SCHEMBL23353598 0.76 MAP3K7 (0.66) MAPK14MAP3K7MAP4K2KDRBRAF
SCHEMBL30692261 0.75 MAP3K7 (1.00) MAPK14MAP3K7MAP4K2MAP3K20FES
SCHEMBL14690002 0.75 MAP3K7 (1.00) MAPK14MAP3K7MAP4K2MAP3K20FES

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-1940844-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-09-30 — — EP claimed
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