SCHEMBL1875013

SCHEMBL1875013

Cc1ccc(C[C@H](NC(=O)[C@H]2CCCN2C)C(=O)NCc2cnc3[nH]ccc3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 10/20 0.44
MASP2 O00187 1/20 0.44
KLK1 P06870 3/20 0.41
METTL3 Q86U44 1/20 0.38
METTL14 Q9HCE5 1/20 0.38
CHRNA7 P36544 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ABL1 P00519 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
SCHEMBL1870902 0.93 MASP2 (0.43) KLKB1MASP2KLK1METTL3METTL14
SCHEMBL1867150 0.93 MASP2 (0.43) KLKB1MASP2KLK1METTL3METTL14
SCHEMBL1867894 0.93 MASP2 (0.43) KLKB1MASP2KLK1METTL3METTL14
SCHEMBL1861128 0.91 MASP2 (0.44) KLKB1MASP2KLK1
SCHEMBL1871181 0.91 MASP2 (0.43) KLKB1MASP2KLK1CHRNA7
SCHEMBL1874196 0.91 MASP2 (0.43) KLKB1MASP2KLK1CHRNA7
SCHEMBL1870064 0.90 MASP2 (0.42) KLKB1MASP2KLK1
SCHEMBL1867433 0.88 MASP2 (0.42) KLKB1MASP2KLK1CHRNA7
SCHEMBL1870717 0.88 MASP2 (0.46) KLKB1MASP2KLK1
Trifluoroacetic Acid SCHEMBL1873249 0.88 DPP4 (0.43) KLKB1MASP2CHRNA7

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