SCHEMBL19670490

SCHEMBL19670490

C[C@@H]1CCN(C)c2ccc(-c3ccnc(N4CCC(C(F)(F)F)C4)c3)nc2N1C(=O)Nc1ccc(F)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC34A1 Q06495 1/20 0.36
▸ MAP3K12 Q12852 1/20 0.35
▸ ITGB2 P05107 5/20 0.34
▸ ICAM1 P05362 5/20 0.34
▸ ITGAL P20701 5/20 0.34
▸ CLK2 P49760 2/20 0.34
▸ LRRK2 Q5S007 2/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ SCN5A Q14524 1/20 0.34
▸ KARS1 Q15046 1/20 0.34
▸ SCD O00767 1/20 0.34
▸ WNT1 P04628 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ SCN10A Q9Y5Y9 1/20 0.33
▸ CSF1R P07333 1/20 0.32
▸ MET P08581 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ MAPK1 P28482 2/20 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
SCHEMBL19670623 0.91 KARS1 (0.38) MAP3K12ITGB2ICAM1ITGALCLK2
SCHEMBL19365294 0.89 VCP (0.35) SLC34A1MAP3K12CLK2LRRK2KCNH2
SCHEMBL19670010 0.88 CLK2 (0.34) SLC34A1MAP3K12ITGB2ICAM1ITGAL
SCHEMBL19670311 0.88 FGFR4 (0.37) SLC34A1MAP3K12ITGB2ICAM1ITGAL
SCHEMBL16238200 0.87 SCD (0.37) SLC34A1MAP3K12ITGB2ICAM1ITGAL
SCHEMBL19670356 0.86 MAP3K12 (0.34) MAP3K12SCDWNT1GSK3BDYRK1A
SCHEMBL19670444 0.86 ITGB2 (0.36) SLC34A1MAP3K12ITGB2ICAM1ITGAL
SCHEMBL19365654 0.84 HCRTR1 (0.44) CSF1RMETKDRMAPK1HCRTR1
SCHEMBL19670498 0.84 KARS1 (0.41) ITGB2ICAM1ITGALLRRK2KARS1
SCHEMBL19669954 0.84 KARS1 (0.34) ITGB2ICAM1ITGALCLK2KARS1

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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