SCHEMBL19670360

SCHEMBL19670360

C[C@@H]1CCN(C)c2ccc(-c3ccnc(N4CCC(F)(F)C4)c3)nc2N1C(=O)Nc1cnccn1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 12/20 0.40
▸ MAP3K12 Q12852 4/20 0.36
▸ DYRK1A Q13627 3/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ WNT1 P04628 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ DLK1 P80370 2/20 0.35
▸ DRG1 Q9Y295 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
SCHEMBL19670226 0.91 CNR2 (0.38) KARS1MAP3K12DYRK1AGSK3BWNT1
SCHEMBL19670356 0.90 MAP3K12 (0.34) MAP3K12DYRK1AGSK3BWNT1DLK1
SCHEMBL19365380 0.89 KARS1 (0.39) KARS1MAP3K12DYRK1AGSK3BMAPT
SCHEMBL19670206 0.87 DYRK1A (0.34) KARS1MAP3K12DYRK1AGSK3BWNT1
SCHEMBL19365800 0.86 KARS1 (0.37) KARS1DYRK1AGSK3BWNT1MAPT
SCHEMBL19670334 0.86 FGFR4 (0.36) MAP3K12DYRK1AGSK3BWNT1DLK1
SCHEMBL17618647 0.85 KARS1 (0.40) KARS1MAP3K12GSK3BMAPTDLK1
SCHEMBL19364888 0.85 WNT3A (0.39) KARS1DYRK1AGSK3BMAPT
SCHEMBL19365270 0.84 WNT3A (0.40) KARS1DYRK1AGSK3B
SCHEMBL19365756 0.81 VCP (0.38) KARS1MAP3K12DYRK1AGSK3BDLK1

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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