SCHEMBL1867894

SCHEMBL1867894

CN1CCCC1C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)NCc1cnc2[nH]ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.43
KLKB1 P03952 8/20 0.42
LCK P06239 1/20 0.40
KLK1 P06870 3/20 0.39
CYP51A1 Q16850 1/20 0.39
TACR1 P25103 2/20 0.38
METTL3 Q86U44 1/20 0.38
METTL14 Q9HCE5 1/20 0.38
ITGB1 P05556 3/20 0.38
ITGA4 P13612 3/20 0.38
ITGB7 P26010 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 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
SCHEMBL1867150 1.00 MASP2 (0.43) MASP2KLKB1LCKKLK1CYP51A1
SCHEMBL1875013 0.93 KLKB1 (0.44) MASP2KLKB1KLK1METTL3METTL14
SCHEMBL1870064 0.92 MASP2 (0.42) MASP2KLKB1KLK1TACR1
SCHEMBL1870902 0.92 MASP2 (0.43) MASP2KLKB1KLK1TACR1METTL3
SCHEMBL1866418 0.92 CTSV (0.46) MASP2KLKB1TACR1JAK2JAK1
SCHEMBL1871181 0.91 MASP2 (0.43) MASP2KLKB1KLK1TACR1
SCHEMBL1874196 0.91 MASP2 (0.43) MASP2KLKB1KLK1TACR1
SCHEMBL1867433 0.89 MASP2 (0.42) MASP2KLKB1KLK1JAK1
Trifluoroacetic Acid SCHEMBL1873249 0.89 DPP4 (0.43) MASP2KLKB1TACR1
SCHEMBL1861128 0.88 MASP2 (0.44) MASP2KLKB1KLK1TACR1JAK2

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