SCHEMBL27376507

SCHEMBL27376507

O=C(NCc1cc(F)cc(-c2cnn(-c3ccc(F)cc3)c2)c1)c1ncnc2nc([C@H]3CCCO3)[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 3/20 0.38
▸ MET P08581 1/20 0.35
▸ RIPK2 O43353 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ DYRK1A Q13627 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ SMO Q99835 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL30751065 1.00 GRIN2B (0.38) GRIN2BMETRIPK2ADORA3ADORA1
SCHEMBL27375170 0.90 MET (0.37) METDYRK1ASMO
SCHEMBL30751355 0.90 MET (0.37) METDYRK1ASMO
SCHEMBL27376866 0.89 MET (0.37) METDYRK1ASMO
SCHEMBL21174368 0.89 MET (0.46) GRIN2BMETDYRK1A
SCHEMBL27376555 0.88 MET (0.35) GRIN2BMETDYRK1A
SCHEMBL30751076 0.88 MET (0.35) GRIN2BMETDYRK1A
SCHEMBL21174334 0.87 MET (0.47) GRIN2BMETDYRK1A
SCHEMBL30751050 0.86 MET (0.36) METDYRK1A
SCHEMBL30751316 0.86 MET (0.36) METDYRK1A

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-2024030000-A1 NOVEL COMPOUND AS HYPOXIA-INDUCIBLE FACTOR 1(HIF-1) INHIBITOR OR VASCULAR ENDOTHELIAL GROWTH FACTOR (VEGF) INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 넥스트젠바이오사이언스 2024-02-08 — — WO disclosed
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