SCHEMBL17778384

SCHEMBL17778384

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2nccc(C)n2)C2CCN3C2)ccn1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ USP30 Q70CQ3 3/20 0.35
▸ WNT3A P56704 3/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ IRAK4 Q9NWZ3 6/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ PIM1 P11309 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL16754615 1.00 L3MBTL1 (0.35) L3MBTL1ABL1USP30WNT3AKDM4E
SCHEMBL19706757 0.92 IRAK4 (0.34) ABL1USP30WNT3AIRAK4MAP4K4
SCHEMBL17768050 0.92 IRAK4 (0.34) ABL1USP30WNT3AIRAK4MAP4K4
SCHEMBL16754671 0.89 HRH3 (0.38) ABL1USP30WNT3AKDM4EALDH1A1
SCHEMBL17778671 0.89 EGFR (0.43) IRAK4
SCHEMBL16754395 0.88 IRAK4 (0.34) ABL1USP30WNT3AIRAK4PIM1
SCHEMBL19706758 0.87 GSK3B (0.35) USP30WNT3AIRAK4
SCHEMBL17778751 0.87 GSK3B (0.35) USP30WNT3AIRAK4
SCHEMBL16754667 0.87 USP30 (0.36) ABL1USP30WNT3AIRAK4JAK3
SCHEMBL17768108 0.87 WNT3A (0.43) ABL1WNT3A

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