SCHEMBL1866499

SCHEMBL1866499

CCN(C)[C@@H](C)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NCc1cnc2[nH]ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.43
PSMB8 P28062 1/20 0.41
PSMB5 P28074 1/20 0.41
KLKB1 P03952 9/20 0.40
KLK1 P06870 4/20 0.39
SMO Q99835 3/20 0.39
METAP2 P50579 2/20 0.39
ABL1 P00519 1/20 0.39
BRAF P15056 1/20 0.37
JAK2 O60674 1/20 0.36
MAP4K4 O95819 1/20 0.36
CHEK2 O96017 1/20 0.36
PRKCG P05129 1/20 0.36
CDK1 P06493 1/20 0.36
FES P07332 1/20 0.36
RET P07949 1/20 0.36
ROS1 P08922 1/20 0.36
FER P16591 1/20 0.36
FLT1 P17948 1/20 0.36
AXL P30530 1/20 0.36

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
SCHEMBL1866502 1.00 MASP2 (0.43) MASP2PSMB8PSMB5KLKB1KLK1
SCHEMBL1872344 0.93 MASP2 (0.44) MASP2PSMB8PSMB5KLKB1KLK1
SCHEMBL1872338 0.93 MASP2 (0.44) MASP2PSMB8PSMB5KLKB1KLK1
SCHEMBL1871675 0.92 MASP2 (0.42) MASP2PSMB5KLKB1KLK1METAP2
SCHEMBL1871667 0.92 MASP2 (0.42) MASP2PSMB5KLKB1KLK1METAP2
SCHEMBL1875523 0.92 MASP2 (0.43) MASP2PSMB8PSMB5KLKB1METAP2
SCHEMBL1875531 0.92 MASP2 (0.43) MASP2PSMB8PSMB5KLKB1METAP2
SCHEMBL1868891 0.91 MASP2 (0.43) MASP2PSMB8PSMB5KLKB1KLK1
SCHEMBL1868895 0.91 MASP2 (0.43) MASP2PSMB8PSMB5KLKB1KLK1
SCHEMBL1868237 0.89 MASP2 (0.42) MASP2KLKB1KLK1ABL1BRAF

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