SCHEMBL30037120

SCHEMBL30037120

COC(=O)c1ncc(C)c(-c2ccc(C#N)cc2F)n1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 3/20 0.44
▸ EGLN2 Q96KS0 4/20 0.39
▸ SLC22A12 Q96S37 2/20 0.39
▸ PRKDC P78527 1/20 0.39
▸ CYP11B2 P19099 2/20 0.38
▸ EGLN1 Q9GZT9 3/20 0.38
▸ CYP11B1 P15538 1/20 0.37
▸ KDM1A O60341 1/20 0.37
▸ KLKB1 P03952 1/20 0.36
▸ SCN10A Q9Y5Y9 1/20 0.36
▸ GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL25552037 1.00 CTSA (0.44) CTSAEGLN2SLC22A12PRKDCCYP11B2
SCHEMBL30036755 0.87 SLC22A12 (0.43) CTSAEGLN2SLC22A12PRKDCCYP11B2
SCHEMBL25552031 0.87 SLC22A12 (0.43) CTSAEGLN2SLC22A12PRKDCCYP11B2
SCHEMBL25552027 0.81 PDK1 (0.43) CTSAEGLN2CYP11B2EGLN1CYP11B1
SCHEMBL30037043 0.81 PDK1 (0.43) CTSAEGLN2CYP11B2EGLN1CYP11B1
SCHEMBL25552011 0.79 MBNL1 (0.43) CTSA
SCHEMBL30036976 0.79 MBNL1 (0.43) CTSA
SCHEMBL25552036 0.79 PDK1 (0.41) CTSAEGLN2SLC22A12PRKDCCYP11B2
SCHEMBL30037562 0.79 PDK1 (0.41) CTSAEGLN2SLC22A12PRKDCCYP11B2
SCHEMBL25559613 0.77 DHODH (0.43) CTSA

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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