SCHEMBL31456923

SCHEMBL31456923

O=C(NCc1cccc(F)c1)c1ncnc2nc(C3CCCC3)[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ADORA2A P29274 1/20 0.44
▸ ADORA2B P29275 1/20 0.44
▸ CALCA P06881 2/20 0.43
▸ ADORA1 P30542 2/20 0.43
▸ HSD17B13 Q7Z5P4 1/20 0.42
▸ ROCK2 O75116 3/20 0.42
▸ DYRK1A Q13627 2/20 0.40
▸ JAK2 O60674 2/20 0.40
▸ AURKA O14965 1/20 0.40
▸ DAPK3 O43293 1/20 0.40
▸ PRKD3 O94806 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ PAK4 O96013 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ RET P07949 1/20 0.40

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
SCHEMBL27374784 1.00 ALDH1A1 (0.46) ALDH1A1LMNAHPGDADORA2AADORA2B
SCHEMBL27376320 0.88 ADORA2A (0.43) ALDH1A1LMNAHPGDADORA2AADORA2B
Hydrochloric Acid SCHEMBL31456967 0.87 ADORA2A (0.42) ALDH1A1LMNAHPGDADORA2AADORA2B
SCHEMBL27376324 0.87 CALCA (0.42) ALDH1A1LMNAHPGDADORA2AADORA2B
SCHEMBL31456925 0.87 CALCA (0.42) ALDH1A1LMNAHPGDADORA2AADORA2B
SCHEMBL30751370 0.86 CALCA (0.40) ADORA2AADORA2BCALCAADORA1DYRK1A
SCHEMBL27374797 0.86 CALCA (0.40) ADORA2AADORA2BCALCAADORA1DYRK1A
SCHEMBL27374812 0.86 ADORA1 (0.41) ADORA2AADORA2BCALCAADORA1BTK
SCHEMBL30751269 0.86 ADORA1 (0.41) ADORA2AADORA2BCALCAADORA1BTK
SCHEMBL21174216 0.84 ADORA1 (0.41) ADORA1

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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