SCHEMBL31456925

SCHEMBL31456925

CN1CCC[C@@H]1c1nc2ncnc(C(=O)NCc3cccc(F)c3)c2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CALCA P06881 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ ADORA2A P29274 1/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ PARP1 P09874 3/20 0.40
▸ SYK P43405 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B13 Q7Z5P4 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ AADAT Q8N5Z0 1/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL27376324 1.00 CALCA (0.42) CALCAALDH1A1LMNAHPGDTP53
SCHEMBL31456923 0.87 ALDH1A1 (0.46) CALCAALDH1A1LMNAHPGDADORA2A
SCHEMBL27374784 0.87 ALDH1A1 (0.46) CALCAALDH1A1LMNAHPGDADORA2A
SCHEMBL30751273 0.85 GRIN2B (0.41) CALCAALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL27376309 0.85 CALCA (0.40) CALCAALDH1A1LMNAHPGDTP53
SCHEMBL31457053 0.85 GRIN2B (0.41) CALCAALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL30751066 0.83 MET (0.47) CALCADYRK1ASMN1; SMN2
SCHEMBL30751053 0.83 MET (0.47) CALCADYRK1ASMN1; SMN2
SCHEMBL27376205 0.83 MET (0.47) CALCADYRK1ASMN1; SMN2
SCHEMBL27376283 0.83 MET (0.47) CALCADYRK1ASMN1; SMN2

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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