SCHEMBL19365437

SCHEMBL19365437

C[C@@H]1CCN(C)c2ccc(-c3cccc(N4CCC(C(F)(F)F)C4)c3)nc2N1C(=O)Nc1cnccn1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 3/20 0.41
▸ PIM2 Q9P1W9 2/20 0.37
▸ CLK2 P49760 7/20 0.35
▸ LRRK2 Q5S007 7/20 0.35
▸ MAP3K12 Q12852 1/20 0.35
▸ FAAH O00519 2/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ SCN5A Q14524 2/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ VCP P55072 1/20 0.33
▸ SYK P43405 1/20 0.32
▸ DHFR P00374 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ DYRK1A Q13627 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
SCHEMBL19365526 0.93 KARS1 (0.41) KARS1FAAHVCPDHFRGSK3B
SCHEMBL19364853 0.93 KARS1 (0.41) KARS1FAAHVCPDHFRGSK3B
SCHEMBL19365292 0.92 VCP (0.40) KARS1PIM2CLK2LRRK2MAP3K12
SCHEMBL19365294 0.89 VCP (0.35) PIM2CLK2LRRK2MAP3K12SCN5A
SCHEMBL19365269 0.88 KARS1 (0.45) KARS1FAAHABL1DHFRGSK3B
SCHEMBL17618567 0.87 KARS1 (0.41) KARS1PIM2CLK2LRRK2MAP3K12
SCHEMBL19365440 0.86 PIM2 (0.35) PIM2CLK2LRRK2ABL1SCN5A
SCHEMBL19365442 0.86 FAAH (0.37) PIM2CLK2LRRK2MAP3K12FAAH
SCHEMBL19365436 0.86 VCP (0.41) KARS1FAAHVCPGSK3BDYRK1A
SCHEMBL19365434 0.86 VCP (0.41) KARS1FAAHVCPGSK3BDYRK1A

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