SCHEMBL28670059

SCHEMBL28670059

CC(C)(C)OC(=O)N1CCCC1COc1cc2c(cc1N)CC(C)(C)O2

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 3/20 0.41
▸ FEN1 P39748 1/20 0.41
▸ F2RL3 Q96RI0 4/20 0.40
▸ IRAK4 Q9NWZ3 2/20 0.40
▸ GPR119 Q8TDV5 2/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ FPR3 P25089 1/20 0.36
▸ FPR2 P25090 1/20 0.36
▸ KDM1A O60341 1/20 0.35
▸ PDE8B O95263 1/20 0.35

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
SCHEMBL29935102 1.00 ALOX5AP (0.41) ALOX5APFEN1F2RL3IRAK4GPR119
SCHEMBL19046026 1.00 ALOX5AP (0.41) ALOX5APFEN1F2RL3IRAK4GPR119
SCHEMBL20531369 0.88 IRAK4 (0.44) IRAK4
SCHEMBL20531370 0.88 IRAK4 (0.44) IRAK4
SCHEMBL19046025 0.88 F2RL3 (0.39) ALOX5APFEN1F2RL3IRAK4GPR119
SCHEMBL28663618 0.86 F2RL3 (0.38) ALOX5APFEN1F2RL3IRAK4GPR119
SCHEMBL28663614 0.86 F2RL3 (0.38) ALOX5APFEN1F2RL3IRAK4GPR119
SCHEMBL28663720 0.77 IRAK4 (0.59) IRAK4
SCHEMBL14431420 0.74 ALOX5AP (0.48) ALOX5APFEN1F2RL3
SCHEMBL448827 0.74 ALOX5AP (0.47) ALOX5APFEN1F2RL3GPR119FPR3

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
CN-108473498-B Pyrazolo [1,5a ] pyrimidine derivatives as IRAK4 modulators 豪夫迈·罗氏有限公司 2021-11-02 — — CN disclosed
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