SCHEMBL31456927

SCHEMBL31456927

O=C(NCc1ccc(-c2cnn(-c3ccc(F)cc3)c2)cc1)c1ncnc2nc(C3CCCC3)[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NAMPT P43490 3/20 0.38
▸ MERTK Q12866 7/20 0.37
▸ SMO Q99835 1/20 0.36
▸ BTK Q06187 1/20 0.36
▸ KIT P10721 1/20 0.36
▸ MELK Q14680 1/20 0.35
▸ ADORA1 P30542 2/20 0.35
▸ AXL P30530 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ TYRO3 Q06418 1/20 0.35

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
SCHEMBL27377070 1.00 SMN1; SMN2 (0.39) SMN1; SMN2NAMPTMERTKSMOBTK
SCHEMBL27375170 0.92 MET (0.37) NAMPTMERTKSMOBTKKIT
SCHEMBL27378439 0.92 MET (0.37) SMN1; SMN2MERTKSMOBTKKIT
SCHEMBL30751460 0.92 MET (0.37) SMN1; SMN2MERTKSMOBTKKIT
SCHEMBL30751355 0.92 MET (0.37) NAMPTMERTKSMOBTKKIT
SCHEMBL30751453 0.91 CCR1 (0.37) SMOBTKADORA1
SCHEMBL27376866 0.91 MET (0.37) NAMPTMERTKSMOBTKKIT
SCHEMBL31456920 0.90 SMO (0.37) SMN1; SMN2NAMPTMERTKSMOBTK
SCHEMBL30751430 0.90 SMO (0.37) SMN1; SMN2NAMPTMERTKSMOBTK
SCHEMBL27376827 0.90 SMO (0.37) SMN1; SMN2NAMPTMERTKSMOBTK

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 2 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
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