SCHEMBL19365490

SCHEMBL19365490

CN1CCCN(C(=O)Nc2ccncc2)c2nc(-c3ccnc(N4CC[C@H](F)C4)c3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 3/20 0.37
▸ CNR1 P21554 2/20 0.35
▸ LRRK2 Q5S007 5/20 0.34
▸ KLKB1 P03952 1/20 0.33
▸ KLK1 P06870 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ HTR2B P41595 2/20 0.33
▸ PRKD1 Q15139 1/20 0.33
▸ TP53BP1 Q12888 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ KIT P10721 1/20 0.32

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
SCHEMBL19365789 0.90 KARS1 (0.35) KARS1LRRK2KLKB1KLK1ABL1
SCHEMBL19365330 0.90 KARS1 (0.35) KARS1LRRK2KLKB1KLK1ABL1
SCHEMBL19365732 0.88 KARS1 (0.40) KARS1KDM4EPRKD1
SCHEMBL19365599 0.88 KARS1 (0.40) KARS1KDM4EPRKD1
SCHEMBL19365483 0.88 KARS1 (0.43) KARS1LRRK2PRKD1TP53BP1
SCHEMBL19365564 0.86 FGFR4 (0.39) KARS1LRRK2
SCHEMBL19365456 0.86 FGFR4 (0.39) KARS1LRRK2
SCHEMBL19361183 0.81 KARS1 (0.35) KARS1LRRK2KLKB1KLK1ABL1
SCHEMBL19670311 0.79 FGFR4 (0.37) KARS1LRRK2
SCHEMBL19670159 0.77 KARS1 (0.40) KARS1ABL1PRKD1TP53BP1

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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