SCHEMBL19365564

SCHEMBL19365564

CN1CCCN(C(=O)Nc2ccc(F)cn2)c2nc(-c3ccnc(N4CC[C@H](F)C4)c3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 2/20 0.39
▸ KARS1 Q15046 2/20 0.37
▸ SCD O00767 1/20 0.35
▸ CSF1R P07333 3/20 0.35
▸ MET P08581 2/20 0.35
▸ KDR P35968 2/20 0.35
▸ HCRTR1 O43613 2/20 0.35
▸ NPY5R Q15761 1/20 0.35
▸ LRRK2 Q5S007 5/20 0.34
▸ GRM5 P41594 3/20 0.34
▸ CLK2 P49760 1/20 0.33
▸ CLK3 P49761 1/20 0.33
▸ DYRK1A Q13627 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
SCHEMBL19365456 1.00 FGFR4 (0.39) FGFR4KARS1SCDCSF1RMET
SCHEMBL19670311 0.93 FGFR4 (0.37) FGFR4KARS1SCDCSF1RMET
SCHEMBL19365483 0.89 KARS1 (0.43) FGFR4KARS1LRRK2DYRK1A
SCHEMBL19365732 0.89 KARS1 (0.40) KARS1DYRK1A
SCHEMBL19365599 0.89 KARS1 (0.40) KARS1DYRK1A
SCHEMBL19365330 0.87 KARS1 (0.35) KARS1LRRK2DYRK1A
SCHEMBL19365789 0.87 KARS1 (0.35) KARS1LRRK2DYRK1A
SCHEMBL19365587 0.87 FGFR4 (0.39) FGFR4CSF1RMETKDRNPY5R
SCHEMBL19365490 0.86 KARS1 (0.37) KARS1LRRK2
SCHEMBL19706156 0.84 FGFR4 (0.38) FGFR4KARS1SCDCSF1RMET

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-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
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