SCHEMBL25155697

SCHEMBL25155697

Cc1ccc(O[C@@H](C)[C@@H]2CCN2)cc1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 15/20 0.40
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PARP10 Q53GL7 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL8554469 0.81 IRAK4 (0.40) IRAK4
SCHEMBL8554626 0.78 IRAK4 (0.39) IRAK4
SCHEMBL8553235 0.78 IRAK4 (0.39) IRAK4PARP10
Hydrochloric Acid SCHEMBL7417419 0.77 IRAK4 (0.39) IRAK4
SCHEMBL25155559 0.76 CHRNB4 (0.50) IRAK4PARP10
SCHEMBL8552081 0.76 IRAK4 (0.41) IRAK4
SCHEMBL5317949 0.74 PARP10 (0.51) TDP1PARP10ALDH1A1
SCHEMBL8554272 0.73 SIRT2 (0.40) IRAK4
SCHEMBL8554797 0.72 IRAK4 (0.40) IRAK4PARP10
SCHEMBL5749639 0.72 MAPT (0.38)

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
WO-2023064493-A1 COMPOUNDS AND METHODS FOR TREATING CORONAVIRUSES Clear Creek Bio, Inc. (US) 2023-04-20 WO disclosed