SCHEMBL30786469

SCHEMBL30786469

NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.95

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PRKACA P17612 18/20 0.95
▸ AKT3 Q9Y243 6/20 0.95
▸ ROCK2 O75116 6/20 0.95
▸ HASPIN Q8TF76 2/20 0.69

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
SCHEMBL31409360 0.88 PRKACA (1.00) PRKACAAKT3ROCK2
SCHEMBL32660834 0.80 PRKACA (1.00) PRKACAROCK2
SCHEMBL10001410 0.80 PRKACA (0.83) PRKACAROCK2
SCHEMBL31098246 0.79 PRKACA (0.67) PRKACAAKT3ROCK2HASPIN
SCHEMBL29360147 0.79 PRKACA (1.00) PRKACAROCK2
SCHEMBL13157206 0.77 PRKACA (0.81) PRKACAROCK2
SCHEMBL10001415 0.76 PRKACA (0.79) PRKACAROCK2
SCHEMBL10033417 0.74 PRKACA (0.68) PRKACAAKT3ROCK2
SCHEMBL25047825 0.74 AHCY (0.84) —
SCHEMBL30941230 0.74 AHCY (0.84) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-220554725-U Automatic coal floating and sinking test device 唐山国选精煤有限责任公司 2024-03-05 — — CN disclosed
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