SCHEMBL20097188

SCHEMBL20097188

COc1ccc(CC(=O)NCC(OC(C)n2cnc3c(N)ncnc32)C(O)CO)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CCNB2 O95067 1/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ CCNB1 P14635 1/20 0.42
▸ CCNB3 Q8WWL7 1/20 0.42
▸ AHCY P23526 3/20 0.41
▸ EGFR P00533 2/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ ABL2 P42684 1/20 0.41
▸ PI4KA P42356 1/20 0.40
▸ PI4K2B Q8TCG2 1/20 0.40
▸ PI4K2A Q9BTU6 1/20 0.40
▸ PI4KB Q9UBF8 1/20 0.40
▸ NSD3 Q9BZ95 1/20 0.40
▸ CHKA P35790 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL13459005 0.75 ADORA2A (0.50) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL13770668 0.73 ADORA2A (0.56) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL20097204 0.72 AHCY (0.41) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL24254534 0.72 ADORA2A (0.53) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL23476211 0.72 ADORA2A (0.48) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL14030274 0.71 AHCY (0.41) AHCY
SCHEMBL14030162 0.71 AHCY (0.37) AHCY
SCHEMBL20097221 0.71 AHCY (0.41) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL14030263 0.69 AHCY (0.37) AHCY
SCHEMBL20097022 0.69 AHCY (0.39) AHCY

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
WO-2018075947-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF RNA VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-04-26 — — WO disclosed
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