SCHEMBL17770467

SCHEMBL17770467

Cc1ncc(-c2ccnc(NC(=O)N3c4nc(C(=O)NCC(F)(F)F)ccc4N4CCC3C4)n2)o1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 9/20 0.36
▸ JAK1 P23458 8/20 0.36
▸ JAK3 P52333 8/20 0.36
▸ TYK2 P29597 2/20 0.36
▸ LYN P07948 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ GSK3B P49841 4/20 0.33
▸ DYRK1A Q13627 4/20 0.33
▸ WNT1 P04628 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ CXCR3 P49682 1/20 0.31
▸ AXL P30530 1/20 0.31
▸ GRM2 Q14416 1/20 0.31
▸ LOXL2 Q9Y4K0 1/20 0.31
▸ PSEN1 P49768 1/20 0.30
▸ PSEN2 P49810 1/20 0.30
▸ APH1B Q8WW43 1/20 0.30
▸ NCSTN Q92542 1/20 0.30

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
SCHEMBL17770374 1.00 JAK2 (0.36) JAK2JAK1JAK3TYK2LYN
SCHEMBL17770063 0.88 GSK3B (0.32) GSK3BDYRK1AWNT1AXLGRM2
SCHEMBL17770058 0.88 GSK3B (0.32) GSK3BDYRK1AWNT1AXLGRM2
SCHEMBL17770414 0.87 GSK3B (0.35) JAK2JAK1JAK3GSK3BDYRK1A
SCHEMBL19736441 0.87 GSK3B (0.35) JAK2JAK1JAK3GSK3BDYRK1A
SCHEMBL17777084 0.87 GSK3B (0.42) GSK3BDYRK1AWNT1
SCHEMBL17770095 0.87 GSK3B (0.42) GSK3BDYRK1AWNT1
SCHEMBL17769957 0.87 GSK3B (0.37) JAK2JAK1JAK3TYK2GSK3B
SCHEMBL17770323 0.87 GSK3B (0.37) JAK2JAK1JAK3TYK2GSK3B
SCHEMBL17777069 0.86 GSK3B (0.33) GSK3BDYRK1AWNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3221317-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-07-22 — — EP disclosed
EP-3221317-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-09-27 — — EP disclosed
WO-2016079710-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO disclosed
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