SCHEMBL27967951

SCHEMBL27967951

CN1CN(Br)c2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL4058851 0.82 KMT2A (0.33) KMT2A
Iodide SCHEMBL1609671 0.80 KMT2A (0.32) KMT2A
SCHEMBL12473823 0.80 KMT2A (0.32) KMT2A
SCHEMBL539004 0.65 KMT2A (0.54) KMT2A
SCHEMBL1008469 0.61 ADORA2A (0.31) —
SCHEMBL15214970 0.60 KMT2A (0.31) KMT2A
SCHEMBL3192497 0.59 KDM4E (0.30) KMT2A
SCHEMBL21891275 0.59 ALDH1A1 (0.33) KMT2A
SCHEMBL141994 0.56 GSK3A (0.44) —
SCHEMBL21891274 0.55 ADORA2A (0.35) KMT2A

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-104010641-B Caffeinated compounds and compositions for treatment of amyloid diseases and synucleinopathies 普罗塔医药公司 2017-04-12 — — CN disclosed
CN-104010641-A Caffeinated compounds and compositions for treatment of amyloid diseases and synucleinopathies PROTEOTECH INC 2014-08-27 — — CN disclosed
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