SCHEMBL17768217

SCHEMBL17768217

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cc(Br)cn(C)c2=O)C2CCN3C2)ccn1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 15/20 0.37
▸ USP30 Q70CQ3 3/20 0.34
▸ IRAK4 Q9NWZ3 2/20 0.34

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
SCHEMBL17768219 1.00 CALCRL (0.37) CALCRLUSP30IRAK4
SCHEMBL22239649 0.88 CALCRL (0.37) CALCRL
SCHEMBL19689823 0.86 CALCRL (0.37) CALCRLIRAK4
SCHEMBL17768095 0.84 ABL1 (0.37) USP30IRAK4
SCHEMBL17767957 0.84 ABL1 (0.37) USP30IRAK4
SCHEMBL17768178 0.84 ABL1 (0.37) USP30IRAK4
SCHEMBL16754671 0.83 HRH3 (0.38) USP30
SCHEMBL17770120 0.82 CALCRL (0.36) CALCRL
SCHEMBL17767975 0.82 WNT3A (0.35) USP30
SCHEMBL19699123 0.82 FGFR4 (0.35) USP30IRAK4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3221316-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-09-27 — — EP disclosed
WO-2016079709-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO disclosed
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