SCHEMBL30037152

SCHEMBL30037152

Cc1cnc(C(=O)O)nc1-c1cccc(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 3/20 0.42
▸ DHODH Q02127 6/20 0.39
▸ GRK6 P43250 1/20 0.37
▸ IDO1 P14902 2/20 0.37
▸ CTSA P10619 4/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ MBNL1 Q9NR56 1/20 0.35

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
SCHEMBL25551942 1.00 KMO (0.42) KMODHODHGRK6IDO1CTSA
SCHEMBL25552003 0.89 MBNL1 (0.47) KMODHODHMBNL1
SCHEMBL30037130 0.89 MBNL1 (0.47) KMODHODHMBNL1
SCHEMBL25559956 0.88 JAK2 (0.42) IDO1JAK2GABRA5PTPN11MBNL1
SCHEMBL25551949 0.85 CTSA (0.39) IDO1CTSAJAK2GABRA5
SCHEMBL30036962 0.85 CTSA (0.39) IDO1CTSAJAK2GABRA5
SCHEMBL25242428 0.83 KMO (0.51) KMODHODHGRK6CTSA
SCHEMBL30036520 0.80 MBNL1 (0.39) IDO1CTSAPTPN11MBNL1
SCHEMBL25551944 0.80 MBNL1 (0.39) IDO1CTSAPTPN11MBNL1
SCHEMBL30037588 0.80 DHODH (0.41) KMODHODHMBNL1

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
CN-115515940-A Inhibitors of receptor interacting protein kinase I for the treatment of disease 德州大学系统董事会 2022-12-23 — — CN disclosed
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