SCHEMBL21986375

SCHEMBL21986375

OCc1c[c]nc(C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.34
LOX P28300 1/20 0.33
KIF11 P52732 1/20 0.32
TLR8 Q9NR97 1/20 0.30
PTGS2 P35354 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
SCHEMBL16242312 0.71 KDM4E (0.33) PTGS2
SCHEMBL2186389 0.71 NOS3 (0.33)
SCHEMBL28916752 0.69 NT5E (0.33)
SCHEMBL21986380 0.69
SCHEMBL25398144 0.69 CA2 (0.38)
SCHEMBL29988849 0.67 LOXL2 (0.67) LOXL2LOXKIF11TLR8
SCHEMBL3296352 0.67 KIF11 (0.31) KIF11
SCHEMBL9057494 0.67 LOXL2 (0.67) LOXL2LOXKIF11TLR8
SCHEMBL17079133 0.67 HSP90AA1 (0.41) LOXL2LOXTLR8PTGS2
SCHEMBL21597028 0.65 HSP90AA1 (0.48) LOXL2TLR8

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-3019490-B1 N,6-BIS(ARYL OR HETEROARYL)-1,3,5-TRIAZINE-2,4-DIAMINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER AGIOS PHARMACEUTICALS INC (US) 2020-06-03 EP claimed
EP-3019490-B1 N,6-BIS(ARYL OR HETEROARYL)-1,3,5-TRIAZINE-2,4-DIAMINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER AGIOS PHARMACEUTICALS INC (US) 2020-06-03 EP disclosed