SCHEMBL13820162

SCHEMBL13820162

CB(C)c1c(C(C)C)ncc(C#N)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
HTT P42858 1/20 0.33
PIN1 Q13526 1/20 0.31
LRRK2 Q5S007 1/20 0.31
AR P10275 1/20 0.30
KDM5A P29375 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL1146196 0.77 CSNK1A1 (0.36) CSNK1A1CLK4HTTPIN1LRRK2
SCHEMBL12186129 0.69 S1PR1 (0.38) CSNK1A1CLK4HTTNPC1ALDH1A1
SCHEMBL18999987 0.68 LRRK2 (0.35) CSNK1A1CLK4HTTLRRK2AR
SCHEMBL24827277 0.67 TLR9 (0.41) CSNK1A1CLK4HTTPIN1LRRK2
SCHEMBL15934911 0.66 ALDH1A1 (0.39) HTTLRRK2ARKDM5ANPC1
SCHEMBL13058613 0.63 CYP11B1 (0.35) LRRK2ARKDM5ANPC1ALDH1A1
SCHEMBL20691191 0.63 CSNK1A1 (0.35) CSNK1A1CLK4HTTLRRK2AR
SCHEMBL26462871 0.63 HPGDS (0.39) HTTLRRK2ARKDM5ANPC1
SCHEMBL2872592 0.63 CSNK1A1 (0.35) CSNK1A1CLK4HTTLRRK2AR
SCHEMBL28187266 0.63 CSNK1A1 (0.35) CSNK1A1CLK4HTTLRRK2AR

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-2009076602-A1 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS WYETH (US) 2009-06-18 WO disclosed