SCHEMBL20000451

SCHEMBL20000451

COC(=O)c1cccc(N2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 1/20 0.49
▸ HRH3 Q9Y5N1 2/20 0.43
▸ OGA O60502 1/20 0.43
▸ NR1H2 P55055 2/20 0.40
▸ NR1H3 Q13133 1/20 0.40
▸ CKS1B P61024 2/20 0.39
▸ SKP1 P63208 2/20 0.39
▸ SKP2 Q13309 2/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ RBP4 P02753 1/20 0.37
▸ HDAC1 Q13547 1/20 0.35
▸ GPR119 Q8TDV5 1/20 0.35
▸ KIF18A Q8NI77 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ PRKCQ Q04759 1/20 0.35
▸ JAK3 P52333 2/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ F2RL1 P55085 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
SCHEMBL18096096 0.89 CYP1A2 (0.45) CRBNNR1H2NR1H3CKS1BSKP1
SCHEMBL30686573 0.82 MAP4K4 (0.37) NR1H2NR1H3CKS1BSKP1SKP2
SCHEMBL18096155 0.81 MAP4K4 (0.42) NR1H2NR1H3CKS1BSKP1SKP2
SCHEMBL19995494 0.81 ATR (0.36) NR1H2NR1H3CKS1BSKP1SKP2
SCHEMBL18096349 0.81 MAP4K4 (0.36) NR1H2NR1H3CKS1BSKP1SKP2
SCHEMBL25279825 0.81 NR1H2 (0.40) HRH3NR1H2NR1H3CKS1BSKP1
SCHEMBL18096385 0.80 CRBN (0.42) CRBNHRH3OGANR1H2NR1H3
SCHEMBL19995483 0.79 RET (0.38) NR1H2NR1H3HDAC1GPR119MAP4K4
SCHEMBL18096314 0.79 GPR119 (0.57) NR1H2NR1H3GPR119
SCHEMBL25738415 0.79 GPR119 (0.45) HRH3NR1H2NR1H3CKS1BSKP1

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-2018057588-A1 FURO[3,2-B]PYRIDINE COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-03-29 — — WO disclosed
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