SCHEMBL1869182

SCHEMBL1869182

CCC(=O)NCc1cnc2[nH]ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 8/20 0.52
ABL1 P00519 1/20 0.51
F2 P00734 2/20 0.51
KLK1 P06870 3/20 0.50
KDR P35968 3/20 0.49
FGFR1 P11362 1/20 0.49
CDK8 P49336 3/20 0.48
MAP4K4 O95819 2/20 0.48
CHEK2 O96017 2/20 0.48
CDK1 P06493 2/20 0.48
FES P07332 2/20 0.48
ROS1 P08922 2/20 0.48
FER P16591 2/20 0.48
FLT4 P35916 2/20 0.48
IRAK1 P51617 2/20 0.48
ROCK1 Q13464 2/20 0.48
PKN2 Q16513 2/20 0.48
MARK2 Q7KZI7 2/20 0.48
MINK1 Q8N4C8 2/20 0.48
AURKB Q96GD4 2/20 0.48

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
SCHEMBL3346697 0.79 ABL1 (0.50) KLKB1ABL1F2KLK1KDR
SCHEMBL10283341 0.78 KDR (0.55) KLKB1ABL1KLK1KDRFGFR1
SCHEMBL3400528 0.77 KDR (0.57) KLKB1ABL1KLK1KDRFGFR1
SCHEMBL29858603 0.77 KDR (0.60) ABL1KDRFGFR1CDK8MAP4K4
SCHEMBL91324 0.77 KDR (0.60) ABL1KDRFGFR1CDK8MAP4K4
SCHEMBL25090827 0.74 KLKB1 (0.47) KLKB1ABL1F2KLK1MASP2
SCHEMBL11990128 0.74 KDR (0.66) KLKB1ABL1KDRFGFR1CDK8
SCHEMBL14638748 0.74 KDR (0.56) ABL1KDRFGFR1CDK8MAP4K4
SCHEMBL3348784 0.74 CDK8 (0.63) ABL1KDRFGFR1CDK8MAP4K4
SCHEMBL5100708 0.74 RIPK1 (0.54) KLKB1ABL1KDRFGFR1CDK8

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
WO-2011051672-A1 AZAINDOLE DERIVATIVES VANTIA LIMITED (GB) 2011-05-05 WO claimed
WO-2011051672-A1 AZAINDOLE DERIVATIVES VANTIA LIMITED (GB) 2011-05-05 WO disclosed