SCHEMBL21923181

SCHEMBL21923181

CC(C)(F)c1cccc(-c2ccc3ncnc(N)c3n2)c1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 20/20 0.68
▸ MINK1 Q8N4C8 1/20 0.56
▸ TNIK Q9UKE5 1/20 0.56

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
SCHEMBL17896424 0.93 MAP4K4 (0.68) MAP4K4MINK1TNIK
SCHEMBL1032209 0.90 MAP4K4 (0.71) MAP4K4MINK1TNIK
SCHEMBL17896425 0.82 MAP4K4 (0.72) MAP4K4MINK1TNIK
SCHEMBL15587252 0.81 MAP4K4 (1.00) MAP4K4MINK1TNIK
SCHEMBL31060266 0.81 MAP4K4 (1.00) MAP4K4MINK1TNIK
SCHEMBL18135276 0.80 MAP4K4 (0.72) MAP4K4MINK1TNIK
SCHEMBL1035448 0.79 MAP4K4 (0.74) MAP4K4MINK1TNIK
SCHEMBL15587457 0.78 MAP4K4 (1.00) MAP4K4MINK1TNIK
SCHEMBL15587270 0.78 MAP4K4 (1.00) MAP4K4MINK1TNIK
SCHEMBL21923095 0.77 MAP4K4 (0.71) 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 disclosed
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