SCHEMBL31432005

SCHEMBL31432005

Cc1nc(N)ccc1CNC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 14/20 0.47
PRSS1 P07477 10/20 0.47
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47
KLKB1 P03952 2/20 0.45
KDM4A O75164 1/20 0.43
MAPKAPK2 P49137 1/20 0.41
MASP2 O00187 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
SCHEMBL1900426 1.00 F2 (0.47) F2PRSS1PRSS2PRSS3KLKB1
SCHEMBL30387387 0.85 MASP2 (0.51) F2MASP2
SCHEMBL28842133 0.85 MASP2 (0.51) F2MASP2
SCHEMBL23478424 0.85 MASP2 (0.51) F2MASP2
SCHEMBL16814047 0.84 KDM4A (0.44) KDM4A
SCHEMBL18360305 0.83 CACNA1H (0.42) F2PRSS1PRSS2PRSS3KDM4A
SCHEMBL18179499 0.82 KDM4A (0.42) KDM4A
SCHEMBL17920388 0.82 MAPKAPK2 (0.43) KLKB1KDM4AMAPKAPK2
SCHEMBL17442649 0.81 KLKB1 (0.57) F2PRSS1PRSS2PRSS3KLKB1
SCHEMBL23279842 0.79 F2 (0.53) F2PRSS1PRSS2PRSS3KLKB1

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-2025049326-A1 TRICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 BIOCRYST PHARMACEUTICALS, INC. (US) 2025-03-06 WO disclosed