SCHEMBL1862022

SCHEMBL1862022

Cc1cccc(C[C@H](NC(=O)C(C)N(C)C(C)C)C(=O)NCc2cnc3[nH]ccc3c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.44
CTSB P07858 5/20 0.41
CTSL P07711 2/20 0.41
CTSS P25774 2/20 0.41
JAK2 O60674 1/20 0.41
MAP4K4 O95819 1/20 0.41
CHEK2 O96017 1/20 0.41
PRKCG P05129 1/20 0.41
CDK1 P06493 1/20 0.41
FES P07332 1/20 0.41
RET P07949 1/20 0.41
ROS1 P08922 1/20 0.41
FER P16591 1/20 0.41
FLT1 P17948 1/20 0.41
AXL P30530 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
FLT3 P36888 1/20 0.41
MAPK9 P45984 1/20 0.41
IRAK1 P51617 1/20 0.41

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
SCHEMBL1862017 1.00 MASP2 (0.44) MASP2CTSBCTSLCTSSJAK2
SCHEMBL1874525 0.91 MASP2 (0.43) MASP2CTSSJAK2MAP4K4CHEK2
SCHEMBL1874535 0.91 MASP2 (0.43) MASP2CTSSJAK2MAP4K4CHEK2
SCHEMBL1873427 0.91 MASP2 (0.43) MASP2CTSBCTSLCTSSJAK2
SCHEMBL1873425 0.91 MASP2 (0.43) MASP2CTSBCTSLCTSSJAK2
SCHEMBL1869371 0.91 KLKB1 (0.44) MASP2JAK2MAP4K4CHEK2PRKCG
SCHEMBL1886931 0.91 KLKB1 (0.44) MASP2JAK2MAP4K4CHEK2PRKCG
SCHEMBL1869378 0.91 KLKB1 (0.44) MASP2JAK2MAP4K4CHEK2PRKCG
SCHEMBL1868678 0.86 MASP2 (0.42) MASP2JAK2MAP4K4CHEK2PRKCG
SCHEMBL1873305 0.86 MASP2 (0.42) MASP2JAK2MAP4K4CHEK2PRKCG

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