SCHEMBL27374607

SCHEMBL27374607

O=C(NCc1cc(F)cc(-c2cnn(-c3ccccc3)c2)c1)c1ncnc2nc(C3CCCC3)[nH]c12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 3/20 0.37
▸ WNT1 P04628 1/20 0.37
▸ MET P08581 1/20 0.37
▸ RIPK1 Q13546 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ BTK Q06187 3/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ ADORA1 P30542 3/20 0.34
▸ MELK Q14680 1/20 0.34
▸ MAPK11 Q15759 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ ADORA3 P0DMS8 2/20 0.33
▸ ADORA2B P29275 2/20 0.33
▸ KDM5A P29375 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ CALCA P06881 2/20 0.33
▸ CTSC P53634 2/20 0.32
▸ CTSK P43235 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
SCHEMBL30751367 1.00 DYRK1A (0.37) DYRK1AWNT1METRIPK1MAPK1
SCHEMBL30751355 0.95 MET (0.37) DYRK1AWNT1METBTKCALCA
SCHEMBL27375170 0.95 MET (0.37) DYRK1AWNT1METBTKCALCA
SCHEMBL27375683 0.94 MET (0.38) DYRK1AWNT1METBTKADORA1
SCHEMBL30751321 0.94 MET (0.38) DYRK1AWNT1METBTKADORA1
SCHEMBL27376866 0.94 MET (0.37) DYRK1AWNT1METBTK
SCHEMBL30751461 0.94 BTK (0.36) DYRK1AWNT1METMAPK1BTK
SCHEMBL27375904 0.94 BTK (0.36) DYRK1AWNT1METMAPK1BTK
SCHEMBL30751315 0.93 MET (0.36) DYRK1AWNT1METMAPK1BTK
SCHEMBL27374775 0.93 MET (0.36) DYRK1AWNT1METMAPK1BTK

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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