SCHEMBL19670498

SCHEMBL19670498

C[C@@H]1CCN(C)c2ccc(-c3ccnc(N4CC[C@H](F)C4)c3)nc2N1C(=O)Nc1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 7/20 0.41
▸ GSK3B P49841 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ ITGB2 P05107 4/20 0.35
▸ ICAM1 P05362 4/20 0.35
▸ ITGAL P20701 4/20 0.35
▸ AVPR1A P37288 1/20 0.34
▸ RXRA P19793 1/20 0.34
▸ PRKD1 Q15139 2/20 0.34
▸ PRKD2 Q9BZL6 2/20 0.34
▸ GRM1 Q13255 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33

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
SCHEMBL19670623 0.93 KARS1 (0.38) KARS1GSK3BDYRK1ATRPV1ITGB2
SCHEMBL19670006 0.90 KARS1 (0.40) KARS1GSK3BDYRK1ATRPV1ITGB2
SCHEMBL19365434 0.89 VCP (0.41) KARS1GSK3BDYRK1ATRPV1PTGS1
SCHEMBL19365436 0.89 VCP (0.41) KARS1GSK3BDYRK1ATRPV1PTGS1
SCHEMBL19670226 0.87 CNR2 (0.38) KARS1GSK3BDYRK1ATRPV1
SCHEMBL19365483 0.87 KARS1 (0.43) KARS1GSK3BDYRK1ATRPV1ITGB2
SCHEMBL19365725 0.86 FGFR4 (0.37) KARS1ITGB2ICAM1ITGALLRRK2
SCHEMBL19365721 0.86 FGFR4 (0.37) KARS1ITGB2ICAM1ITGALLRRK2
SCHEMBL17618666 0.86 KARS1 (0.41) KARS1GSK3BDYRK1ATRPV1ITGB2
SCHEMBL19669052 0.86 KARS1 (0.41) KARS1GSK3BDYRK1ATRPV1ITGB2

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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