SCHEMBL17778461

SCHEMBL17778461

Cc1cc(-c2ncc3c(n2)N(C(=O)Nc2ccccn2)C2CCN3C2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 7/20 0.38
▸ ABL1 P00519 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ FAAH O00519 1/20 0.36
▸ GRM5 P41594 4/20 0.36
▸ GSK3B P49841 2/20 0.35
▸ MAP3K12 Q12852 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ TRPV1 Q8NER1 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
SCHEMBL17769695 1.00 WNT3A (0.38) WNT3AABL1IRAK4FAAHGRM5
SCHEMBL17778459 0.90 GSK3B (0.38) FAAHGRM5GSK3BDYRK1ATRPV1
SCHEMBL17769524 0.89 GRM5 (0.36) IRAK4FAAHGRM5GSK3BDYRK1A
SCHEMBL17618509 0.87 WNT3A (0.41) WNT3AABL1FAAHGRM5GSK3B
SCHEMBL19689674 0.86 WNT3A (0.41) WNT3AGSK3BMAPK1
SCHEMBL17778224 0.86 WNT3A (0.41) WNT3AGSK3BMAPK1
SCHEMBL17778364 0.86 FAAH (0.38) WNT3AABL1FAAHGRM5MAP3K12
SCHEMBL17778460 0.86 MTOR (0.42) —
SCHEMBL17778718 0.86 MAPK1 (0.38) WNT3AMAPK1
SCHEMBL17767922 0.86 MAPK1 (0.38) WNT3AMAPK1

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-2016079712-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO disclosed
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