SCHEMBL17898803

SCHEMBL17898803

COc1ccnc(C(=O)N[C@H]2CCOC[C@H](Oc3ccccc3)[C@@H](Oc3ccccc3)[C@H](C)OC2=O)c1O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.33
RIPK1 Q13546 10/20 0.32
PTK2 Q05397 1/20 0.31
PTK2B Q14289 1/20 0.31
GRM5 P41594 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
IGF1R P08069 2/20 0.31
MET P08581 2/20 0.31
KDR P35968 2/20 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
SCHEMBL17898773 0.96 HPGDS (0.33) HPGDSRIPK1PTK2PTK2BGRM5
SCHEMBL19628458 0.94 RIPK1 (0.33) RIPK1PTK2PTK2BGRM5MEN1
SCHEMBL15366680 0.93 HPGDS (0.31) HPGDSRIPK1
SCHEMBL17899026 0.93 HPGDS (0.31) HPGDSRIPK1MEN1CYP1A2KMT2A
SCHEMBL17898780 0.92 HPGDS (0.30) HPGDS
SCHEMBL17899024 0.92 HPGDS (0.30) HPGDS
SCHEMBL17899027 0.91 RIPK1 (0.30) HPGDSRIPK1
SCHEMBL17898891 0.91 RIPK1 (0.30) HPGDSRIPK1
SCHEMBL19091125 0.90 GRM4 (0.34) RIPK1PTK2PTK2BGRM5IGF1R
SCHEMBL19066904 0.90 GRM4 (0.34) RIPK1PTK2PTK2BGRM5IGF1R

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
WO-2016109291-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2016-07-07 WO disclosed
WO-2016109290-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 WO disclosed