SCHEMBL19670010

SCHEMBL19670010

C[C@@H]1CCN(C)c2ccc(-c3ccnc(N4CCC(C(F)(F)F)C4)c3)nc2N1C(=O)Nc1cncc(F)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 2/20 0.34
▸ LRRK2 Q5S007 2/20 0.34
▸ SCN10A Q9Y5Y9 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ SCN5A Q14524 1/20 0.34
▸ KARS1 Q15046 2/20 0.33
▸ MAP3K12 Q12852 1/20 0.33
▸ PIM2 Q9P1W9 2/20 0.33
▸ ABL1 P00519 7/20 0.32
▸ ITGB2 P05107 1/20 0.32
▸ ICAM1 P05362 1/20 0.32
▸ ITGAL P20701 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ BRAF P15056 2/20 0.32
▸ SLC34A1 Q06495 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
SCHEMBL19670490 0.88 SLC34A1 (0.36) CLK2LRRK2SCN10AKCNH2SCN5A
SCHEMBL19365440 0.88 PIM2 (0.35) CLK2LRRK2KCNH2SCN5APIM2
SCHEMBL19361180 0.87 SCN10A (0.37) CLK2LRRK2SCN10AKCNH2SCN5A
SCHEMBL19670623 0.86 KARS1 (0.38) CLK2LRRK2KCNH2SCN5AKARS1
SCHEMBL19670206 0.85 DYRK1A (0.34) CLK2SCN10AKARS1MAP3K12DYRK1A
SCHEMBL19365752 0.85 WNT3A (0.37) ABL1DYRK1A
SCHEMBL19670514 0.84 KARS1 (0.34) KARS1ABL1DYRK1ABRAF
SCHEMBL19670507 0.84 KARS1 (0.34) KARS1ABL1DYRK1ABRAF
SCHEMBL19670444 0.82 ITGB2 (0.36) KARS1MAP3K12ITGB2ICAM1ITGAL
SCHEMBL19365369 0.82 GSK3B (0.38) CLK2KCNH2ABL1DYRK1A

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