SCHEMBL20705288

SCHEMBL20705288

Cc1nc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C[C@@H]2c2nc(C(=O)O)cs2)cn1C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAA50 Q9GZZ1 11/20 0.42
KLKB1 P03952 4/20 0.35
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BTK Q06187 1/20 0.33
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32

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
SCHEMBL20705068 1.00 NAA50 (0.42) NAA50KLKB1JAK2JAK1KMT2A
SCHEMBL20713767 0.83 KLKB1 (0.47) NAA50KLKB1KMT2AL3MBTL1
SCHEMBL20713722 0.82 KLKB1 (0.53) NAA50KLKB1
SCHEMBL20705172 0.82 KLKB1 (0.53) NAA50KLKB1
SCHEMBL20705151 0.81 KLKB1 (0.45) NAA50KLKB1
SCHEMBL20705179 0.80 KLKB1 (0.45) KLKB1
SCHEMBL20713811 0.76 TRPC3 (0.43) KLKB1
SCHEMBL20713814 0.76 TRPC3 (0.43) KLKB1
SCHEMBL10077029 0.75 NAA50 (0.43) NAA50NR1H2NR1H3
SCHEMBL20705122 0.74 CASP3 (0.39) NAA50KLKB1KMT2ANR1H2NR1H3

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
EP-3661922-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF Dyax Corp. (US) 2020-06-10 EP disclosed
WO-2019028362-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF DYAX CORP. (US) 2019-02-07 WO disclosed