SCHEMBL27377449

SCHEMBL27377449

CCc1ccc(-n2cc(-c3cc(F)cc(CNC(=O)c4ncnc5nc(C6CCCC6)[nH]c45)c3)cn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 3/20 0.38
▸ MET P08581 2/20 0.37
▸ BTK Q06187 3/20 0.35
▸ ADORA1 P30542 4/20 0.34
▸ DYRK1A Q13627 2/20 0.34
▸ KIT P10721 3/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ SMO Q99835 1/20 0.32
▸ WNT1 P04628 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
SCHEMBL27375170 0.94 MET (0.37) NAMPTMETBTKDYRK1AKIT
SCHEMBL30751355 0.94 MET (0.37) NAMPTMETBTKDYRK1AKIT
SCHEMBL27376866 0.94 MET (0.37) NAMPTMETBTKDYRK1AKIT
SCHEMBL30751480 0.92 BTK (0.37) NAMPTMETBTKADORA1DYRK1A
SCHEMBL30751349 0.92 NAMPT (0.37) NAMPTMETBTKADORA1DYRK1A
SCHEMBL30751367 0.92 DYRK1A (0.37) METBTKADORA1DYRK1AWNT1
SCHEMBL27374607 0.92 DYRK1A (0.37) METBTKADORA1DYRK1AWNT1
SCHEMBL30751384 0.92 MET (0.36) NAMPTMETBTKADORA1KIT
SCHEMBL27375126 0.92 MET (0.36) NAMPTMETBTKADORA1KIT
SCHEMBL30751461 0.92 BTK (0.36) METBTKDYRK1AWNT1

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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