SCHEMBL24250063

SCHEMBL24250063

COc1ccnc2cc(C=O)c(OC(C)C)cc12

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 8/20 0.47
▸ PDGFRB P09619 1/20 0.45
▸ PDGFRA P16234 1/20 0.45
▸ SRC P12931 2/20 0.43
▸ TGFBR1 P36897 2/20 0.43
▸ FGFR2 P21802 1/20 0.42

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
SCHEMBL24250212 0.85 IRAK4 (0.44) IRAK4
SCHEMBL19957325 0.82 ALDH1A1 (0.52) PDGFRBPDGFRASRCTGFBR1FGFR2
SCHEMBL24250076 0.80 IRAK4 (0.68) IRAK4
SCHEMBL24250205 0.80 IRAK4 (0.70) IRAK4
SCHEMBL24250079 0.80 IRAK4 (0.68) IRAK4
SCHEMBL24250089 0.80 SRC (0.50) IRAK4PDGFRBPDGFRASRCTGFBR1
SCHEMBL18573759 0.78 IRAK4 (0.42) IRAK4
SCHEMBL24250074 0.78 IRAK4 (0.71) IRAK4
SCHEMBL22959985 0.77 SRC (0.47) PDGFRBPDGFRASRC
SCHEMBL24249981 0.77 IRAK4 (0.70) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3536685-B1 BICYCLIC-FUSED HETEROARYL OR ARYL COMPOUNDS AND THEIR USE AS IRAK4 INHIBITORS PFIZER (US) 2022-02-16 — — EP disclosed
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