SCHEMBL18062084

SCHEMBL18062084

Cc1nc(CCC(C)(C)C)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1cc2cc(C(C)(C)C)ncc2o1

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.41

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
SCHEMBL12036980 0.86 IRAK4 (0.42) IRAK4
SCHEMBL12036903 0.76 IRAK4 (0.43) IRAK4
SCHEMBL12038764 0.75 IRAK4 (0.45) IRAK4
SCHEMBL12038355 0.74 IRAK4 (0.44) IRAK4
SCHEMBL12038338 0.74 IRAK4 (0.40) IRAK4
SCHEMBL12038538 0.74 IRAK4 (0.31) IRAK4
SCHEMBL12058101 0.74 IRAK4 (0.43) IRAK4
SCHEMBL12038029 0.74 IRAK4 (0.42) IRAK4
SCHEMBL12038032 0.74 IRAK4 (0.51) IRAK4
SCHEMBL13493456 0.74 — —

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
US-9433621-B2 Substituted pyridine and pyrimidine derivatives and their use in treating viral infections MERCK SHARP & DOHME CORP. (US) 2016-09-06 — — US disclosed
US-9433621-B2 Substituted pyridine and pyrimidine derivatives and their use in treating viral infections MERCK SHARP & DOHME CORP. (US) 2016-09-06 — — US disclosed
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