SCHEMBL16596137

SCHEMBL16596137

Cc1cnc(NC(=O)C2CC2)nc1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 11/20 0.48
▸ BRAF P15056 9/20 0.47
▸ JAK2 O60674 1/20 0.46
▸ JAK1 P23458 1/20 0.46
▸ MET P08581 1/20 0.45
▸ ABL1 P00519 1/20 0.44
▸ ENPP3 O14638 4/20 0.44
▸ ENPP1 P22413 3/20 0.44
▸ ENPP2 Q13822 3/20 0.44
▸ MAPT P10636 1/20 0.44

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
SCHEMBL16596092 0.85 KDR (0.52) KDRBRAFMETABL1ENPP3
SCHEMBL16585956 0.83 MAPT (0.49) KDRMAPT
SCHEMBL16585996 0.81 NFKB1 (0.57) MAPT
SCHEMBL16586318 0.74 AHR (0.50) ENPP3ENPP1ENPP2MAPT
SCHEMBL6458333 0.71 MCHR1 (0.57) MAPT
SCHEMBL6458320 0.71 MCHR1 (0.57) MAPT
SCHEMBL31396398 0.71 ENPP3 (0.61) ENPP3ENPP1ENPP2MAPT
SCHEMBL2237973 0.68 MAPT (0.51) KDRBRAFJAK2ABL1MAPT
SCHEMBL14983695 0.67 LMNA (0.49) JAK2JAK1ABL1
SCHEMBL14284358 0.67 TLR7 (0.62) KDRBRAFMAPT

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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