SCHEMBL16596092

SCHEMBL16596092

Cc1ccc(NC(=O)C2CC2)nc1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 12/20 0.52
▸ BRAF P15056 9/20 0.48
▸ ENPP3 O14638 4/20 0.48
▸ ENPP1 P22413 3/20 0.48
▸ ENPP2 Q13822 3/20 0.48
▸ MET P08581 1/20 0.47
▸ ABL1 P00519 1/20 0.46

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
SCHEMBL16596137 0.85 KDR (0.48) KDRBRAFENPP3ENPP1ENPP2
SCHEMBL16586318 0.81 AHR (0.50) ENPP3ENPP1ENPP2
SCHEMBL16585996 0.74 NFKB1 (0.57) —
SCHEMBL16585956 0.74 MAPT (0.49) KDR
SCHEMBL31396398 0.73 ENPP3 (0.61) ENPP3ENPP1ENPP2
SCHEMBL25210996 0.73 AHR (0.56) —
SCHEMBL2192997 0.69 RIPK3 (0.58) KDRBRAF
SCHEMBL14284668 0.69 TRPV1 (0.49) KDRBRAF
SCHEMBL16907654 0.69 KDR (1.00) KDRBRAF
SCHEMBL20040934 0.68 KDR (0.86) KDRBRAF

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
WO-2015040405-A2 AGRICULTURAL CHEMICALS REDX PHARMA LIMITED (GB) 2015-03-26 — — WO disclosed
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