SCHEMBL23649802

SCHEMBL23649802

CC(C)(O)c1nccc(N)n1.C[Mg]Br

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
NUDT1 P36639 1/20 0.30

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
SCHEMBL30041346 0.91 NOS3 (0.34) HCRTR1HCRTR2NUDT1
SCHEMBL14926090 0.91 NOS3 (0.34) HCRTR1HCRTR2NUDT1
Bromide SCHEMBL23649800 0.86 NUDT1 (0.32) HCRTR1HCRTR2NUDT1
SCHEMBL1828405 0.75 NOS3 (0.37) NUDT1
SCHEMBL23649498 0.72 NOS3 (0.39) NUDT1
SCHEMBL1092751 0.70 ALOX15 (0.37) HCRTR1HCRTR2
SCHEMBL31493074 0.68 TAAR1 (0.32) HCRTR1HCRTR2
SCHEMBL22903513 0.68 SYK (0.36) HCRTR1HCRTR2
SCHEMBL1420222 0.67 NOS3 (0.47)
SCHEMBL27691144 0.67 SCN9A (0.38)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023288264-A1 MAP4K1 INHIBITORS BLUEPRINT MEDICINES CORPORATION (US) 2023-01-19 WO disclosed
WO-2021146370-A1 MAP4K1 INHIBITORS BLUEPRINT MEDICINES CORPORATION (US) 2021-07-22 WO disclosed