SCHEMBL19995494

SCHEMBL19995494

COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)nc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.36
▸ MAP4K4 O95819 2/20 0.36
▸ POLB P06746 1/20 0.35
▸ NR1H2 P55055 3/20 0.35
▸ NR1H3 Q13133 2/20 0.35
▸ SUV39H2 Q9H5I1 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ NTRK1 P04629 1/20 0.34
▸ EIF2AK4 Q9P2K8 1/20 0.34
▸ CKS1B P61024 2/20 0.33
▸ SKP1 P63208 2/20 0.33
▸ SKP2 Q13309 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CSNK2A1 P68400 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KIF18A Q8NI77 1/20 0.33
▸ PGK1 P00558 1/20 0.33

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
SCHEMBL18096349 0.88 MAP4K4 (0.36) MAP4K4NR1H2NR1H3SUV39H2HDAC1
SCHEMBL18096155 0.88 MAP4K4 (0.42) MAP4K4NR1H2NR1H3HDAC1NTRK1
SCHEMBL19995483 0.85 RET (0.38) MAP4K4NR1H2NR1H3HDAC1NTRK1
SCHEMBL19995473 0.84 ATR (0.36) ATRPOLBNR1H2NR1H3HDAC1
SCHEMBL30686573 0.82 MAP4K4 (0.37) MAP4K4NR1H2NR1H3HDAC1NTRK1
SCHEMBL20000451 0.81 CRBN (0.49) MAP4K4NR1H2NR1H3HDAC1NTRK1
SCHEMBL16333395 0.80 POLB (0.40) MAP4K4POLBNR1H2NR1H3SUV39H2
SCHEMBL19995503 0.77 PGGT1B (0.37) NR1H2NR1H3KMT2AJAK3
SCHEMBL18096261 0.77 MAPT (0.39) NR1H2NR1H3HDAC1NTRK1MAPT
SCHEMBL17385177 0.76 NR1H2 (0.43) NR1H2NR1H3MEN1KMT2AMAPT

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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