SCHEMBL319045

SCHEMBL319045

Nc1cc(F)c(-c2cccc(F)c2F)nc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.42
SLC9A1 P19634 2/20 0.38
GRK6 P43250 1/20 0.38
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
CTSA P10619 3/20 0.37
JAK2 O60674 1/20 0.37
EIF4E P06730 1/20 0.36
DYRK1A Q13627 2/20 0.36
MAOA P21397 1/20 0.35
BLVRB P30043 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
DHFR P00374 1/20 0.34
ALKBH5 Q6P6C2 1/20 0.34

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
SCHEMBL318118 0.88 PIM1 (0.45) DHODHSLC9A1PIM1PIM3PIM2
SCHEMBL318205 0.84 PIM2 (0.44) DHODHPIM1PIM3PIM2
SCHEMBL11909058 0.79 PIM3 (0.39) DHODHPIM1PIM3PIM2
SCHEMBL11906705 0.79 DHODH (0.45) DHODH
SCHEMBL11906897 0.78 MAP2K3 (0.44) DHODHSLC9A1GRK6PIM1PIM3
SCHEMBL11907324 0.77 KDM4E (0.40) DHODHPIM1PIM3PIM2HDAC6
SCHEMBL11907633 0.76 ATR (0.38) DHODHSLC9A1GRK6CTSAJAK2
SCHEMBL11906961 0.76 FFAR4 (0.44) DHODHCTSAEIF4EHDAC6
SCHEMBL16517562 0.75 AURKA (0.46)
SCHEMBL11908119 0.74 TGFBR1 (0.35) DHODHPIM1PIM3PIM2

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-2590968-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS Novartis AG (CH) 2013-05-15 EP disclosed
WO-2012004217-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-12 WO disclosed