SCHEMBL18497752

SCHEMBL18497752

CC(C)Oc1cc2c(O[C@@H]3CCN(C(=O)CC#N)C3)ccnc2cc1C(N)=O

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.79

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
SCHEMBL18497702 1.00 IRAK4 (0.79) IRAK4
SCHEMBL18497776 0.95 IRAK4 (0.80) IRAK4
SCHEMBL24249992 0.93 IRAK4 (0.74) IRAK4
SCHEMBL18497844 0.90 IRAK4 (0.76) IRAK4
SCHEMBL18497805 0.90 IRAK4 (0.76) IRAK4
SCHEMBL18525508 0.90 IRAK4 (0.76) IRAK4
SCHEMBL30196528 0.89 IRAK4 (1.00) IRAK4
SCHEMBL30196601 0.89 IRAK4 (1.00) IRAK4
SCHEMBL17137265 0.89 IRAK4 (1.00) IRAK4
SCHEMBL24250147 0.89 IRAK4 (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017025849-A1 BICYCLIC-FUSED HETEROARYL OR ARYL COMPOUNDS PFIZER INC. (US) 2017-02-16 — — WO claimed
WO-2017025849-A1 BICYCLIC-FUSED HETEROARYL OR ARYL COMPOUNDS PFIZER INC. (US) 2017-02-16 — — WO disclosed
WO-2017025849-A1 BICYCLIC-FUSED HETEROARYL OR ARYL COMPOUNDS PFIZER INC. (US) 2017-02-16 — — WO disclosed
Send feedback