SCHEMBL19670492

SCHEMBL19670492

C[C@@H]1CCN(C)c2ccc(-c3cncc(F)c3)nc2N1C(=O)Nc1cc(-c2cnco2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 20/20 0.42
▸ GSK3B P49841 18/20 0.42
▸ WNT1 P04628 15/20 0.42

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
SCHEMBL19670659 0.89 DYRK1A (0.34) DYRK1AGSK3BWNT1
SCHEMBL19670328 0.89 DYRK1A (0.44) DYRK1AGSK3BWNT1
SCHEMBL19670332 0.88 BRAF (0.41) DYRK1AGSK3BWNT1
SCHEMBL19670434 0.88 DYRK1A (0.34) DYRK1AGSK3BWNT1
SCHEMBL16776413 0.87 DYRK1A (0.41) DYRK1AGSK3BWNT1
SCHEMBL19865030 0.86 DYRK1A (0.40) DYRK1AGSK3BWNT1
SCHEMBL17618859 0.84 DYRK1A (0.40) DYRK1AGSK3BWNT1
SCHEMBL19670431 0.84 WNT1 (0.40) DYRK1AGSK3BWNT1
SCHEMBL19670540 0.82 DYRK1A (0.36) DYRK1AGSK3BWNT1
SCHEMBL19365752 0.79 WNT3A (0.37) DYRK1AGSK3B

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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