SCHEMBL5367755

SCHEMBL5367755

CC(=O)NCC1CCc2nc(-c3ccc(-c4ccc(C)cc4)cc3C)cn2C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 8/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CREBBP Q92793 1/20 0.36
DKK1 O94907 1/20 0.35
IRAK1 P51617 2/20 0.35
CNR1 P21554 1/20 0.35
MAPK14 Q16539 1/20 0.35
LRRK2 Q5S007 1/20 0.35
TP53 P04637 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.34

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
SCHEMBL18281466 0.90 MAPK14 (0.36) WDR5ALDH1A1LMNACNR1MAPK14
SCHEMBL20337613 0.87 WDR5 (0.44) WDR5ALDH1A1LMNADKK1TP53
SCHEMBL5375885 0.83 LMNA (0.42) WDR5ALDH1A1LMNALRRK2IRAK4
SCHEMBL18281430 0.81 MAPK14 (0.46) WDR5ALDH1A1LMNAMAPK14TP53
SCHEMBL5375882 0.79 NPC1 (0.41) WDR5ALDH1A1LMNALRRK2
SCHEMBL5329805 0.78 WDR5 (0.39) WDR5ALDH1A1LMNAMAPK14
SCHEMBL5303254 0.77 MAPK14 (0.38) WDR5ALDH1A1LMNAMAPK14
SCHEMBL5306661 0.76 WDR5 (0.40) WDR5ALDH1A1LMNA
SCHEMBL18281441 0.76 WDR5 (0.38) WDR5ALDH1A1LMNATP53
SCHEMBL18281476 0.75 WDR5 (0.52) WDR5ALDH1A1GSK3BDYRK1A

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
WO-2007034282-A2 DIARYL-IMIDAZOLE COMPOUNDS CONDENSED WITH A HETEROCYCLE AS C3A RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2007-03-29 WO disclosed