SCHEMBL17778208

SCHEMBL17778208

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2nccnc2F)C2CCN3C2)ccn1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 4/20 0.36
▸ WNT3A P56704 4/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ IRAK4 Q9NWZ3 2/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ SCD O00767 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ MAPK1 P28482 4/20 0.32
▸ GPR65 Q8IYL9 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL16754455 1.00 USP30 (0.36) USP30WNT3AABL1IRAK4DYRK1A
SCHEMBL16754404 0.89 WNT3A (0.34) USP30WNT3AABL1IRAK4DYRK1A
SCHEMBL17618708 0.88 USP30 (0.34) USP30WNT3A
SCHEMBL16754671 0.87 HRH3 (0.38) USP30WNT3AABL1GRM5KDM4E
SCHEMBL16754289 0.86 MAPK1 (0.34) USP30WNT3AABL1DYRK1AMAPK1
SCHEMBL17778384 0.85 L3MBTL1 (0.35) USP30WNT3AABL1IRAK4KDM4E
SCHEMBL16754615 0.85 L3MBTL1 (0.35) USP30WNT3AABL1IRAK4KDM4E
SCHEMBL17618513 0.85 HCRTR1 (0.42) WNT3AABL1SCDGRM5MAPK1
SCHEMBL16754574 0.85 WNT3A (0.41) USP30WNT3AABL1GRM5
SCHEMBL17778222 0.85 WNT3A (0.41) USP30WNT3AABL1GRM5

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
WO-2016081692-A2 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-26 — — WO disclosed
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