SCHEMBL24799799

SCHEMBL24799799

NC(=O)C1C2C=CC(C2)C1Nc1nc(Nc2cccc(C(=O)N3CCCC3)c2)ncc1-c1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 20/20 1.00
MAP3K7 O43318 17/20 1.00

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
SCHEMBL19742895 1.00 IRAK4 (1.00) IRAK4MAP3K7
SCHEMBL30044992 1.00 IRAK4 (1.00) IRAK4MAP3K7
SCHEMBL24800067 1.00 IRAK4 (1.00) IRAK4MAP3K7
SCHEMBL24800547 0.93 MAP3K7 (1.00) IRAK4MAP3K7
SCHEMBL19742907 0.93 MAP3K7 (1.00) IRAK4MAP3K7
SCHEMBL30044524 0.93 MAP3K7 (1.00) IRAK4MAP3K7
SCHEMBL24800091 0.93 IRAK4 (1.00) IRAK4MAP3K7
SCHEMBL19742926 0.93 IRAK4 (1.00) IRAK4MAP3K7
SCHEMBL30046066 0.93 IRAK4 (1.00) IRAK4MAP3K7
SCHEMBL19742924 0.92 IRAK4 (1.00) IRAK4MAP3K7

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-3475263-B1 2,4-DIAMINO-PYRIMIDINE COMPOUNDS AND THEIR USE AS IRAK4 INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2022-12-28 EP disclosed