SCHEMBL1872344

SCHEMBL1872344

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.44
KLKB1 P03952 9/20 0.41
KLK1 P06870 3/20 0.40
METAP2 P50579 2/20 0.40
ABL1 P00519 1/20 0.40
SMO Q99835 2/20 0.39
PSMB8 P28062 1/20 0.38
PSMB5 P28074 1/20 0.38
FLT3 P36888 2/20 0.38
JAK2 O60674 1/20 0.38
MAP4K4 O95819 1/20 0.38
CHEK2 O96017 1/20 0.38
PRKCG P05129 1/20 0.38
CDK1 P06493 1/20 0.38
FES P07332 1/20 0.38
RET P07949 1/20 0.38
ROS1 P08922 1/20 0.38
FER P16591 1/20 0.38
FLT1 P17948 1/20 0.38
AXL P30530 1/20 0.38

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
SCHEMBL1872338 1.00 MASP2 (0.44) MASP2KLKB1KLK1METAP2ABL1
SCHEMBL1868891 0.93 MASP2 (0.43) MASP2KLKB1KLK1METAP2ABL1
SCHEMBL1868895 0.93 MASP2 (0.43) MASP2KLKB1KLK1METAP2ABL1
SCHEMBL1866502 0.93 MASP2 (0.43) MASP2KLKB1KLK1METAP2ABL1
SCHEMBL1866499 0.93 MASP2 (0.43) MASP2KLKB1KLK1METAP2ABL1
SCHEMBL1873386 0.91 MASP2 (0.43) MASP2KLKB1KLK1ABL1PSMB5
SCHEMBL1873380 0.91 MASP2 (0.43) MASP2KLKB1KLK1ABL1PSMB5
SCHEMBL1872162 0.90 MASP2 (0.44) MASP2KLKB1FLT3JAK2MAP4K4
SCHEMBL1869906 0.90 MASP2 (0.44) MASP2KLKB1FLT3JAK2MAP4K4
SCHEMBL1867146 0.88 MASP2 (0.43) MASP2KLKB1KLK1ABL1FLT3

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 disclosed