SCHEMBL28717837

SCHEMBL28717837

O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CCC(O)C2)c([N+](=O)[O-])c1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 20/20 0.70
▸ KCNH2 Q12809 2/20 0.70
▸ BCR P11274 1/20 0.67
▸ CRBN Q96SW2 1/20 0.67

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
SCHEMBL29421257 1.00 ABL1 (0.70) ABL1KCNH2BCRCRBN
SCHEMBL28717834 1.00 ABL1 (0.70) ABL1KCNH2BCRCRBN
SCHEMBL28876254 0.88 ABL1 (0.61) ABL1KCNH2BCRCRBN
SCHEMBL28876255 0.88 ABL1 (0.61) ABL1KCNH2BCRCRBN
SCHEMBL28876260 0.87 ABL1 (0.65) ABL1KCNH2BCRCRBN
SCHEMBL28876261 0.87 ABL1 (0.65) ABL1KCNH2BCRCRBN
SCHEMBL29835037 0.87 ABL1 (0.65) ABL1KCNH2BCRCRBN
SCHEMBL19904364 0.86 ABL1 (0.78) ABL1KCNH2BCRCRBN
SCHEMBL15388565 0.86 ABL1 (0.74) ABL1KCNH2BCRCRBN
SCHEMBL28722103 0.86 ABL1 (0.75) ABL1KCNH2BCRCRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114149409-B (hetero) aryl amide compound with protein kinase inhibition activity 中国药科大学 2024-03-22 — — CN disclosed
CN-115109048-B (hetero) aryl amide compound 中国药科大学 2023-12-08 — — CN disclosed
CN-115109048-A (hetero) aryl amide compound 中国药科大学 2022-09-27 — — CN disclosed
CN-114149409-A (hetero) aryl amide compound with protein kinase inhibitory activity 中国药科大学 2022-03-08 — — CN disclosed
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