SCHEMBL4598079

SCHEMBL4598079

CNCc1[nH]c2ncc(C#N)cc2c1CNC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 4/20 0.36
PTGER4 P35408 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.34
CHEK1 O14757 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LRRK2 Q5S007 5/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
AURKA O14965 1/20 0.30
JAK2 O60674 1/20 0.30
PAK4 O96013 1/20 0.30
ABL1 P00519 1/20 0.30
NTRK1 P04629 1/20 0.30
LCK P06239 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
SCHEMBL8326499 0.70 EGFR (0.43) PTGER4CHEK1LRRK2HTTKDM4E
SCHEMBL3441172 0.67 CHRNB2 (0.32) PTGER4CHEK1
SCHEMBL14689824 0.65 GABRP (0.54) PTGER4CHEK1KMT2AKDM4EALDH1A1
SCHEMBL20846081 0.64 MET (0.41) LRRK2NTRK1MET
SCHEMBL744450 0.63 ATIC (0.39) IDH1CHEK1HTTKDM4EALDH1A1
SCHEMBL14689938 0.62 CHEK1 (0.57) CHEK1HTT
SCHEMBL7214036 0.62 HTT (0.49) PTGER4LRRK2HTTKDM4EALDH1A1
SCHEMBL20125054 0.62 BRD4 (0.44) IDH1CHEK1HTTKDM4EALDH1A1
SCHEMBL28227220 0.62 HPGDS (0.37) IDH1HTTKDM4EALDH1A1LMNA
SCHEMBL1268087 0.61 SLC6A4 (0.41) PTGER4MEN1KMT2ALRRK2KDM4E

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-2008064265-A2 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON, INC. (US) 2008-05-29 WO disclosed