SCHEMBL13610057

SCHEMBL13610057

C=CC(=O)OCCNc1nc(NC(C)COC)c(N=Nc2nn(-c3ncccn3)c(COC)c2C#N)c(C)c1C#N

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL13610082 0.87 — —
SCHEMBL13610053 0.75 — —
SCHEMBL13610092 0.72 KDM4E (0.31) —
SCHEMBL10171678 0.69 — —
SCHEMBL13610051 0.69 JAK2 (0.31) —
SCHEMBL13610061 0.68 KDM4E (0.31) —
SCHEMBL13610049 0.67 — —
SCHEMBL13610043 0.66 — —
SCHEMBL13610050 0.66 — —
SCHEMBL13610064 0.65 LMNA (0.30) —

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
US-7622521-B2 Colored curable composition, color filter and method of producing thereof FUJIFILM CORPORATION (JP) 2009-11-24 — — US disclosed
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