SCHEMBL18062129

SCHEMBL18062129

Cc1nc(N[C@@H]2CC2c2ccccc2)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2cnccc2s1

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.67

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
SCHEMBL12453510 1.00 IRAK4 (0.67) IRAK4
SCHEMBL15982792 1.00 IRAK4 (0.67) IRAK4
SCHEMBL12453162 0.90 IRAK4 (0.69) IRAK4
SCHEMBL12038701 0.89 IRAK4 (0.81) IRAK4
SCHEMBL15982790 0.89 IRAK4 (0.74) IRAK4
SCHEMBL12454453 0.89 IRAK4 (0.74) IRAK4
SCHEMBL12038378 0.87 IRAK4 (0.69) IRAK4
SCHEMBL12038369 0.87 IRAK4 (0.79) IRAK4
SCHEMBL12038833 0.87 IRAK4 (0.70) IRAK4
SCHEMBL17119825 0.86 IRAK4 (0.67) IRAK4

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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