SCHEMBL19670514

SCHEMBL19670514

CCN1CC[C@@H](C)N(C(=O)Nc2cncc(F)c2)c2nc(-c3ccnc(N4CC[C@H](F)C4)c3)ccc21

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 3/20 0.34
▸ KLKB1 P03952 1/20 0.33
▸ KLK1 P06870 1/20 0.33
▸ DYRK1A Q13627 2/20 0.33
▸ CACNA1G O43497 1/20 0.33
▸ CACNA1H O95180 1/20 0.33
▸ CACNA1I Q9P0X4 1/20 0.33
▸ ABL1 P00519 7/20 0.32
▸ RAF1 P04049 5/20 0.32
▸ BRAF P15056 4/20 0.32
▸ TRPV3 Q8NET8 1/20 0.31

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
SCHEMBL19670507 1.00 KARS1 (0.34) KARS1KLKB1KLK1DYRK1ACACNA1G
SCHEMBL19669954 0.88 KARS1 (0.34) KARS1DYRK1A
SCHEMBL19669950 0.88 KARS1 (0.34) KARS1DYRK1A
SCHEMBL19670487 0.87 KARS1 (0.40) KARS1DYRK1A
SCHEMBL19670396 0.87 KARS1 (0.40) KARS1DYRK1A
SCHEMBL19670006 0.85 KARS1 (0.40) KARS1DYRK1A
SCHEMBL17618681 0.85 KARS1 (0.35) KARS1KLKB1KLK1DYRK1AABL1
SCHEMBL17618689 0.85 KARS1 (0.35) KARS1KLKB1KLK1DYRK1AABL1
SCHEMBL19670010 0.84 CLK2 (0.34) KARS1DYRK1AABL1BRAF
SCHEMBL19670631 0.82 FAAH (0.35) KARS1

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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