SCHEMBL17769326

SCHEMBL17769326

CC1(C)OC[C@@H](COc2cccc(NC(=O)N3c4nc(-c5cccc(C(F)(F)F)c5)c(Cl)cc4N4CCCC3C4)n2)O1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.33
▸ BTK Q06187 5/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ KCNJ5 P48544 1/20 0.32
▸ KCNJ3 P48549 1/20 0.32
▸ MCHR1 Q99705 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ KIF18A Q8NI77 1/20 0.32
▸ EGFR P00533 2/20 0.31
▸ ITK Q08881 1/20 0.31
▸ KCNK3 O14649 2/20 0.31
▸ KCNK9 Q9NPC2 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ SORT1 Q99523 1/20 0.31
▸ RPS6KA5 O75582 1/20 0.31

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
SCHEMBL17769327 1.00 KIF11 (0.33) KIF11BTKTRPV1KCNJ5KCNJ3
SCHEMBL17769709 1.00 KIF11 (0.33) KIF11BTKTRPV1KCNJ5KCNJ3
SCHEMBL17769398 1.00 KIF11 (0.33) KIF11BTKTRPV1KCNJ5KCNJ3
SCHEMBL17769396 1.00 KIF11 (0.33) KIF11BTKTRPV1KCNJ5KCNJ3
SCHEMBL19706579 0.96 KIF18A (0.33) BTKTRPV1KCNJ5KCNJ3KIF18A
SCHEMBL17768054 0.96 KIF18A (0.33) BTKTRPV1KCNJ5KCNJ3KIF18A
SCHEMBL17768245 0.96 KIF18A (0.33) BTKTRPV1KCNJ5KCNJ3KIF18A
SCHEMBL17778686 0.96 KIF18A (0.33) BTKTRPV1KCNJ5KCNJ3KIF18A
SCHEMBL17768159 0.96 KIF18A (0.33) BTKTRPV1KCNJ5KCNJ3KIF18A
SCHEMBL17769323 0.94 KIF11 (0.34) KIF11BTKTRPV1KCNJ5KCNJ3

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-3221322-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-09-27 — — EP disclosed
WO-2016079711-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO disclosed
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