SCHEMBL6233894

SCHEMBL6233894

CON(c1cccc(Cl)c1)c1nc(NC2CCCCCC2)nc(N(C)C2CC[N+](C)(COP(=O)(O)O)CC2)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
PAK4 O96013 1/20 0.33
ABL1 P00519 1/20 0.33
NTRK1 P04629 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
CSF1R P07333 1/20 0.33
RET P07949 1/20 0.33
MET P08581 1/20 0.33
PDGFRB P09619 1/20 0.33
PIM1 P11309 1/20 0.33
FGFR1 P11362 1/20 0.33
PDGFRA P16234 1/20 0.33
PRKACA P17612 1/20 0.33
FLT1 P17948 1/20 0.33
LTK P29376 1/20 0.33

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
SCHEMBL5032423 0.78 BCL6 (0.44) SMN1; SMN2CTSVPLATCTSLCTSH
SCHEMBL6233888 0.77 GALR2 (0.38) CTSVPLATCTSLCTSHCTSS
SCHEMBL5030764 0.75 GALR1 (0.40) SMN1; SMN2CTSLCTSSCTSK
Hydrochloric Acid SCHEMBL4838629 0.74 GALR1 (0.39) SMN1; SMN2CTSLCTSSCTSK
SCHEMBL6017078 0.64 MEN1 (0.34) MAPK8MCHR1SMN1; SMN2ADRA2A
SCHEMBL4870097 0.63 BCL6 (0.42) AURKAMAP4K4PAK4ABL1LCK
Hydrochloric Acid SCHEMBL4838602 0.61 GALR1 (0.40) SMN1; SMN2CTSLCTSSCTSK
SCHEMBL4836907 0.61 GALR1 (0.40) SMN1; SMN2CTSLCTSSCTSK
SCHEMBL4840855 0.60 BCL6 (0.51) SMN1; SMN2CTSVPLATCTSLCTSH
SCHEMBL5555643 0.60 CCR8 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1560817-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS Reddy US Therapeutics, Inc. (US) 2005-08-10 EP claimed
WO-2004026844-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS, INC. (US) 2004-04-01 WO claimed