SCHEMBL27375904

SCHEMBL27375904

O=C(O)c1ccc(-n2cc(-c3cc(F)cc(CNC(=O)c4ncnc5nc(C6CCCC6)[nH]c45)c3)cn2)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 3/20 0.36
▸ MET P08581 1/20 0.36
▸ MELK Q14680 1/20 0.34
▸ DYRK1A Q13627 4/20 0.34
▸ EGLN1 Q9GZT9 2/20 0.33
▸ WNT1 P04628 2/20 0.33
▸ RIPK2 O43353 2/20 0.32
▸ CALCA P06881 1/20 0.32
▸ PTGER4 P35408 1/20 0.32
▸ HSD11B1 P28845 1/20 0.31
▸ CLK2 P49760 1/20 0.31
▸ CLK3 P49761 1/20 0.31
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL30751461 1.00 BTK (0.36) BTKMETMELKDYRK1AEGLN1
SCHEMBL27375170 0.94 MET (0.37) BTKMETDYRK1AWNT1CALCA
SCHEMBL30751355 0.94 MET (0.37) BTKMETDYRK1AWNT1CALCA
SCHEMBL30751480 0.94 BTK (0.37) BTKMETMELKDYRK1AWNT1
SCHEMBL27375892 0.94 MET (0.37) BTKMETMELKDYRK1AWNT1
SCHEMBL30751324 0.94 MET (0.37) BTKMETMELKDYRK1AWNT1
SCHEMBL30751367 0.94 DYRK1A (0.37) BTKMETMELKDYRK1AWNT1
SCHEMBL27376866 0.94 MET (0.37) BTKMETDYRK1AWNT1CLK2
SCHEMBL27374607 0.94 DYRK1A (0.37) BTKMETMELKDYRK1AWNT1
SCHEMBL30751313 0.92 MEN1 (0.38) BTKMETDYRK1AEGLN1WNT1

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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