SCHEMBL21874969

SCHEMBL21874969

Fc1cccc(-c2ccc3ncnc(NC4CCC4)c3n2)c1.Nc1ncnc2ccc(-c3cccc(C(=O)NCCN4CCCC4)c3)nc12

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 20/20 0.76

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
SCHEMBL15537863 0.87 MAP4K4 (1.00) MAP4K4
SCHEMBL15536275 0.82 MAP4K4 (1.00) MAP4K4
SCHEMBL15587803 0.80 MAP4K4 (1.00) MAP4K4
SCHEMBL15587240 0.78 MAP4K4 (1.00) MAP4K4
SCHEMBL15587785 0.78 MAP4K4 (1.00) MAP4K4
SCHEMBL15587869 0.75 MAP4K4 (1.00) MAP4K4
SCHEMBL15587460 0.74 MAP4K4 (1.00) MAP4K4
SCHEMBL15538115 0.73 MAP4K4 (1.00) MAP4K4
SCHEMBL15537046 0.73 MAP4K4 (0.85) MAP4K4
SCHEMBL15587621 0.73 MAP4K4 (0.80) MAP4K4

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
EP-2855459-B1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-04-29 — — EP claimed
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