SCHEMBL1874086

SCHEMBL1874086

N[C@@H](C(=O)NCc1cnc2[nH]ccc2c1)C(C1CCCCC1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.47
CHRNA7 P36544 1/20 0.42
KLKB1 P03952 7/20 0.41
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41
METTL3 Q86U44 1/20 0.40
METTL14 Q9HCE5 1/20 0.40
KLK1 P06870 2/20 0.40
ABL1 P00519 1/20 0.40
JAK2 O60674 2/20 0.39
MAP4K4 O95819 1/20 0.39
CHEK2 O96017 1/20 0.39
PRKCG P05129 1/20 0.39
CDK1 P06493 1/20 0.39
FES P07332 1/20 0.39
RET P07949 1/20 0.39
ROS1 P08922 1/20 0.39
FER P16591 1/20 0.39
FLT1 P17948 1/20 0.39
AXL P30530 1/20 0.39

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
SCHEMBL1874087 1.00 MASP2 (0.47) MASP2CHRNA7KLKB1METAP2METAP1
Hydrochloric Acid SCHEMBL1874541 0.99 MASP2 (0.46) MASP2CHRNA7KLKB1METAP2METAP1
Hydrochloric Acid SCHEMBL1874544 0.99 MASP2 (0.46) MASP2CHRNA7KLKB1METAP2METAP1
SCHEMBL1870166 0.85 MASP2 (0.47) MASP2CHRNA7KLKB1METTL3METTL14
SCHEMBL1867873 0.80 MASP2 (0.45) MASP2CHRNA7KLKB1METTL3METTL14
SCHEMBL1868978 0.80 MASP2 (0.44) MASP2CHRNA7KLKB1ABL1JAK2
SCHEMBL1901151 0.78 MASP2 (0.45) MASP2METAP2METAP1METTL3NAMPT
SCHEMBL1901155 0.78 MASP2 (0.45) MASP2METAP2METAP1METTL3NAMPT
SCHEMBL1870522 0.78 MASP2 (0.45) MASP2CHRNA7KLKB1METTL3METTL14
Trifluoroacetic Acid SCHEMBL1873628 0.76 MASP2 (0.43) MASP2CHRNA7KLKB1METTL3METTL14

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