SCHEMBL19670334

SCHEMBL19670334

COc1cc(NC(=O)N2c3nc(-c4ccnc(N5CCC(F)(F)C5)c4)ccc3N(C)CC[C@H]2C)ncn1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 1/20 0.36
▸ MAP3K12 Q12852 6/20 0.35
▸ FAAH O00519 1/20 0.35
▸ CACNA1H O95180 4/20 0.33
▸ SCN10A Q9Y5Y9 4/20 0.33
▸ WNT1 P04628 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ HPGDS O60760 1/20 0.33
▸ PDK1 Q15118 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ PDK3 Q15120 1/20 0.33
▸ PDK4 Q16654 1/20 0.33
▸ DLK1 P80370 2/20 0.32
▸ DRG1 Q9Y295 1/20 0.32
▸ TTK P33981 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
SCHEMBL19365725 0.88 FGFR4 (0.37) FGFR4FAAHHPGDSPDK1PDK2
SCHEMBL19365721 0.88 FGFR4 (0.37) FGFR4FAAHHPGDSPDK1PDK2
SCHEMBL19361177 0.87 MAP3K12 (0.37) FGFR4MAP3K12FAAHCACNA1HSCN10A
SCHEMBL19670226 0.87 CNR2 (0.38) MAP3K12WNT1GSK3BDYRK1ADLK1
SCHEMBL19670360 0.86 KARS1 (0.40) MAP3K12WNT1GSK3BDYRK1ADLK1
SCHEMBL19670356 0.86 MAP3K12 (0.34) MAP3K12FAAHCACNA1HWNT1GSK3B
SCHEMBL19670444 0.86 ITGB2 (0.36) FGFR4MAP3K12FAAHHPGDSPDK1
SCHEMBL19365299 0.86 FGFR4 (0.40) FGFR4FAAHGSK3BHPGDSPDK1
SCHEMBL19670266 0.85 FGFR4 (0.41) FGFR4FAAHGSK3BHPGDSPDK1
SCHEMBL19670149 0.84 FGFR4 (0.39) FGFR4FAAHGSK3BHPGDSPDK1

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
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
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