SCHEMBL28240880

SCHEMBL28240880

CC1(C(F)(F)F)Cc2cc(N=O)c(Cl)cc2O1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 2/20 0.31

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
SCHEMBL23277898 0.81 AKR1B1 (0.34) IRAK4
SCHEMBL19030794 0.76 CYP1A2 (0.38) —
SCHEMBL19045077 0.75 IRAK4 (0.36) IRAK4
SCHEMBL19046264 0.74 — —
SCHEMBL19030561 0.72 PDK2 (0.38) —
SCHEMBL19030062 0.63 IRAK4 (0.48) IRAK4
SCHEMBL28241753 0.63 ALDH1A1 (0.46) —
SCHEMBL19046313 0.60 ALDH1A1 (0.31) IRAK4
SCHEMBL31410947 0.60 TDP1 (0.34) IRAK4
SCHEMBL15800554 0.59 GRIN2D (0.34) —

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-A Pyrazolo [1,5a] pyrimidine derivatives as IRAK4 conditioning agents 豪夫迈·罗氏有限公司 2018-08-31 — — CN disclosed
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