SCHEMBL28407983

SCHEMBL28407983

CC1(C)Cc2cc([N+](=O)[O-])c(N3CCN(CC(OC(N)=O)C(C)(C)C)CC3)cc2O1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 15/20 0.39
▸ MAPT P10636 3/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ PMP22 Q01453 1/20 0.37
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 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
SCHEMBL28405615 0.87 IRAK4 (0.41) IRAK4
SCHEMBL28407980 0.81 MAPT (0.37) IRAK4MAPTCYP3A4BLMPMP22
SCHEMBL19030014 0.80 IRAK4 (0.48) IRAK4MAPTLMNAGAA
SCHEMBL20594509 0.78 MAPT (0.52) IRAK4MAPTCYP3A4BLMPMP22
SCHEMBL19030707 0.77 IRAK4 (0.48) IRAK4MAPTLMNAGAA
SCHEMBL19030797 0.77 IRAK4 (0.51) IRAK4MAPTCYP3A4LMNAGAA
SCHEMBL20594523 0.77 DRD2 (0.47) IRAK4LMNAGAA
SCHEMBL19030119 0.77 MAPT (0.46) IRAK4MAPTLMNAGAA
SCHEMBL20594582 0.76 MAPT (0.44) IRAK4MAPTCYP3A4BLMPMP22
SCHEMBL19030476 0.76 IRAK4 (0.49) IRAK4MAPTCYP3A4BLMPMP22

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-111094292-A Pyrazolo [1,5a ] pyrimidine derivatives as IRAK4 modulators 豪夫迈·罗氏有限公司 2020-05-01 — — CN disclosed
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