SCHEMBL30324497

SCHEMBL30324497

CC(C)(C)OC(=O)N1CC(C(F)(F)c2ccnc(Cl)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 3/20 0.42
▸ POLB P06746 1/20 0.42
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ ANO1 Q5XXA6 1/20 0.39
▸ GPR119 Q8TDV5 4/20 0.39
▸ USP30 Q70CQ3 3/20 0.38
▸ SYK P43405 1/20 0.38
▸ AOC3 Q16853 1/20 0.38
▸ TACR1 P25103 1/20 0.38
▸ EIF2AK4 Q9P2K8 1/20 0.37

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
SCHEMBL26105375 0.85 RORC (0.43) RORCPOLBJAK2JAK1PDE4B
SCHEMBL30324512 0.84 GPR119 (0.46) RORCJAK2JAK1GPR119
SCHEMBL24111414 0.84 GPR119 (0.46) RORCJAK2JAK1GPR119
SCHEMBL30094557 0.79 PDE4B (0.46) POLBPDE4BANO1GPR119USP30
SCHEMBL20757641 0.79 PDE4B (0.46) POLBPDE4BANO1GPR119USP30
SCHEMBL17729471 0.78 MAPT (0.52) RORCGPR119USP30TACR1
SCHEMBL23802575 0.77 GPR119 (0.49) RORCPOLBGPR119USP30
SCHEMBL30324594 0.77 USP30 (0.43) POLBJAK2JAK1ANO1GPR119
SCHEMBL17541957 0.76 RORC (0.49) RORCUSP30
SCHEMBL20570727 0.76 RORC (0.49) RORCPDE4BGPR119USP30TACR1

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
EP-4164654-A1 RIPK1 INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2023-04-19 — — EP disclosed
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