SCHEMBL31362319

SCHEMBL31362319

C[C@@H]1c2cc(B(O)O)nn2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAP4K4 O95819 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NR1H2 P55055 3/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NR1H3 Q13133 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ THRB P10828 1/20 0.32

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
SCHEMBL26026951 0.82 GRM5 (0.36) GRM5ALDH1A1MAP4K4NR1H2MEN1
SCHEMBL22279667 0.82 MAP4K4 (0.39) GRM5ALDH1A1MAP4K4NR1H2MEN1
SCHEMBL30519529 0.80 GPR119 (0.42) GRM5NR1H2NR1H3
SCHEMBL26027032 0.80 GPR119 (0.42) GRM5NR1H2NR1H3
SCHEMBL30622756 0.76 GRM5 (0.45) GRM5ALDH1A1NR1H2MEN1KMT2A
SCHEMBL31692206 0.76 UCHL1 (0.38) ALDH1A1L3MBTL1LMNAKMT2ANPSR1
SCHEMBL24276770 0.75 GRM5 (0.36) GRM5ALDH1A1NR1H2LMNANPSR1
SCHEMBL34469131 0.74 MAP4K4 (0.38) GRM5ALDH1A1MAP4K4
SCHEMBL31155235 0.74 MAP4K4 (0.38) GRM5ALDH1A1MAP4K4
SCHEMBL30623037 0.74 NR1H2 (0.43) GRM5NR1H2MAPTNR1H3

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-2025034858-A1 FUSED PYRIDINES FOR THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2025-02-13 — — WO disclosed
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