SCHEMBL20686177

SCHEMBL20686177

CC1(C)C(=O)N(C2COC2)c2cc(C(=N)OC(=N)c3ccncc3)ccc21

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 6/20 0.36
▸ GAA P10253 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
SCHEMBL20686163 0.90 MAP4K1 (0.34) MAP4K1
SCHEMBL20686266 0.83 MAP4K1 (0.36) MAP4K1GAA
SCHEMBL18549334 0.82 ALDH1A1 (0.40) MAP4K1GAA
SCHEMBL20686203 0.81 MAP4K1 (0.32) MAP4K1
SCHEMBL20686145 0.80 ALDH1A1 (0.38) GAA
SCHEMBL20686176 0.80 MAP4K1 (0.32) MAP4K1
SCHEMBL20686182 0.79 MAP4K1 (0.31) MAP4K1
SCHEMBL17275714 0.78 RARB (0.38) MAP4K1GAA
SCHEMBL15577333 0.78 HTT (0.44) MAP4K1GAA
SCHEMBL17275673 0.77 SMN1; SMN2 (0.41) MAP4K1

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-3145923-B1 INDOLIN-2-ONE AND 1,3-DIHYDRO-PYRROLO[3,2-C]PYRIDIN-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-01-30 — — EP disclosed
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