SCHEMBL27765124

SCHEMBL27765124

CN(C)c1cn(C)c2ncc(C#N)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.42
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
TP53 P04637 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HPGDS O60760 2/20 0.33
HTT P42858 1/20 0.33
IRAK4 Q9NWZ3 2/20 0.33
EGLN2 Q96KS0 2/20 0.32
SLC6A4 P31645 1/20 0.32
LRRK2 Q5S007 1/20 0.32
RORC P51449 1/20 0.32
DYRK1A Q13627 1/20 0.31
GRM5 P41594 1/20 0.31
KDM4E B2RXH2 2/20 0.31
AURKA O14965 1/20 0.31

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
SCHEMBL23452230 0.79 PTGER4 (0.43) PTGER4ALDH1A1TP53HPGDSHTT
SCHEMBL31020829 0.79 HTT (0.45) PTGER4ALDH1A1TP53HPGDSHTT
SCHEMBL14031125 0.79 BRD4 (0.47) PTGER4ALDH1A1TP53HPGDSHTT
SCHEMBL23928899 0.79 HTT (0.45) PTGER4ALDH1A1TP53HPGDSHTT
SCHEMBL29880693 0.79 PTGER4 (0.43) PTGER4ALDH1A1TP53HPGDSHTT
SCHEMBL25230123 0.75 RORC (0.46) PTGER4RORC
SCHEMBL14031024 0.71 IMPDH2 (0.47) PTGER4ALDH1A1CYP1A2CYP3A4HSD17B10
SCHEMBL27072911 0.68 GRM5 (0.61) PTGER4HPGDSHTTIRAK4DYRK1A
SCHEMBL904725 0.66 HPGDS (0.43) PTGER4ALDH1A1HPGDSIRAK4GRM5
SCHEMBL27439703 0.65 DYRK1A (0.59) DYRK1AKDM4EMETPIM1GSK3B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103497188-A Compounds modulating c-fms and/or c-kit activity and uses therefor PLEXXIKON INC 2014-01-08 CN disclosed
CN-101605787-B Compounds that modulate c-fms and/or c-kit activity and uses thereof PLEXXIKON INC 2013-11-13 CN disclosed
CN-101605787-A Compounds that modulate c-fms and/or c-kit activity and uses thereof PLEXXIKON INC (US) 2009-12-16 CN disclosed