SCHEMBL19670528

SCHEMBL19670528

C[C@@H]1CCN(C)c2ccc(-c3ccc4c(c3)OC(F)(F)O4)nc2N1C(=O)Nc1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ RECQL P46063 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ NTRK3 Q16288 1/20 0.39
▸ NTRK2 Q16620 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ KIT P10721 2/20 0.37
▸ CTNNB1 P35222 1/20 0.37
▸ WNT3A P56704 1/20 0.37
▸ FAAH O00519 2/20 0.36
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ DRD2 P14416 2/20 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
SCHEMBL19365372 0.86 FGFR4 (0.40) GSK3BDYRK1ARECQLSMN1; SMN2NTRK1
SCHEMBL19365613 0.85 FAAH (0.40) GSK3BDYRK1ANTRK1FAAHPTGS1
SCHEMBL16238195 0.84 KIT (0.39) GSK3BDYRK1ARECQLSMN1; SMN2NTRK1
SCHEMBL19706135 0.84 FAAH (0.36) GSK3BDYRK1ARECQLSMN1; SMN2NTRK1
SCHEMBL19365276 0.84 WNT3A (0.41) GSK3BDYRK1AWNT3APTGS1PTGS2
SCHEMBL19365317 0.84 GSK3B (0.39) GSK3BDYRK1ASMN1; SMN2FAAHPTGS1
SCHEMBL19365445 0.83 TRPM8 (0.43) GSK3BDYRK1APTGS1PTGS2TRPV1
SCHEMBL19365426 0.83 GSK3B (0.41) GSK3BDYRK1ANTRK1PTGS1PTGS2
SCHEMBL19670375 0.83 TRPV1 (0.41) GSK3BDYRK1ASMN1; SMN2ALDH1A1KIT
SCHEMBL19670187 0.82 MTOR (0.36) GSK3BDYRK1ARECQLSMN1; SMN2NTRK1

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
Send feedback