SCHEMBL30751430

SCHEMBL30751430

O=C(NCc1ccc(F)c(-c2cnn(-c3ccc(F)cc3)c2)c1)c1ncnc2nc(C3CCCC3)[nH]c12

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 2/20 0.37
▸ BTK Q06187 4/20 0.37
▸ NAMPT P43490 3/20 0.36
▸ MET P08581 1/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ MERTK Q12866 3/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ KIT P10721 1/20 0.32
▸ NR2E3 Q9Y5X4 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
SCHEMBL27376827 1.00 SMO (0.37) SMOBTKNAMPTMETTRPA1
SCHEMBL31456920 0.94 SMO (0.37) SMOBTKNAMPTMETMERTK
SCHEMBL27377090 0.94 SMO (0.37) SMOBTKNAMPTMETMERTK
SCHEMBL31456927 0.90 SMN1; SMN2 (0.39) SMOBTKNAMPTMERTKSMN1; SMN2
SCHEMBL27377070 0.90 SMN1; SMN2 (0.39) SMOBTKNAMPTMERTKSMN1; SMN2
SCHEMBL30751453 0.89 CCR1 (0.37) SMOBTKADORA1NR2E3
SCHEMBL27375170 0.88 MET (0.37) SMOBTKNAMPTMETTRPA1
SCHEMBL30751355 0.88 MET (0.37) SMOBTKNAMPTMETTRPA1
SCHEMBL31456924 0.88 GRIN2B (0.38) SMOBTKNAMPTMETMERTK
SCHEMBL27376939 0.88 GRIN2B (0.38) SMOBTKNAMPTMETMERTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119654324-A Novel compounds as hypoxia inducible factor 1 (HIF-1) inhibitors or Vascular Endothelial Growth Factor (VEGF) inhibitors and pharmaceutical compositions comprising the same 株式会社次代生物科学 2025-03-18 — — CN claimed
CN-119654324-A Novel compounds as hypoxia inducible factor 1 (HIF-1) inhibitors or Vascular Endothelial Growth Factor (VEGF) inhibitors and pharmaceutical compositions comprising the same 株式会社次代生物科学 2025-03-18 — — CN disclosed
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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