SCHEMBL28591653

SCHEMBL28591653

CC(C)n1cc(C#N)c2cc(NC(=O)c3cc(=O)[nH]cn3)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 20/20 1.00

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
SCHEMBL28597346 0.92 XDH (0.86) XDH
SCHEMBL28591584 0.87 XDH (1.00) XDH
SCHEMBL28591140 0.86 XDH (1.00) XDH
SCHEMBL28593948 0.84 XDH (1.00) XDH
SCHEMBL28595776 0.82 XDH (1.00) XDH
SCHEMBL28601653 0.81 XDH (1.00) XDH
SCHEMBL28599431 0.81 XDH (1.00) XDH
SCHEMBL28591627 0.81 XDH (1.00) XDH
SCHEMBL28591588 0.80 XDH (1.00) XDH
SCHEMBL28593987 0.80 XDH (1.00) XDH

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-113173918-B N-indole-1, 6-dihydropyrimidine-4-carboxamide derivative and preparation method and application thereof 沈阳药科大学 2022-04-05 — — CN claimed
CN-113173918-A N-indole-1, 6-dihydropyrimidine-4-carboxamide derivative and preparation method and application thereof 沈阳药科大学 2021-07-27 — — CN claimed
CN-113173918-B N-indole-1, 6-dihydropyrimidine-4-carboxamide derivative and preparation method and application thereof 沈阳药科大学 2022-04-05 — — CN disclosed
CN-113173918-A N-indole-1, 6-dihydropyrimidine-4-carboxamide derivative and preparation method and application thereof 沈阳药科大学 2021-07-27 — — CN disclosed
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