SCHEMBL904199

SCHEMBL904199

O=[N+]([O-])c1cc(Cl)nc(Nc2cc(C(F)(F)F)ccn2)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.44
FGFR4 P22455 1/20 0.43
IDH2 P48735 1/20 0.41
MAP3K12 Q12852 7/20 0.40
KIF11 P52732 2/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CLK1 P49759 1/20 0.38
PHGDH O43175 1/20 0.38

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
SCHEMBL13737025 0.85 SYK (0.46) SYKIDH2MAP3K12KIF11ALDH1A1
SCHEMBL16820221 0.83 SYK (0.54) SYKIDH2MAP3K12
SCHEMBL1704102 0.81 KMT2A (0.50) SYKALDH1A1
SCHEMBL13827142 0.80 SYK (0.49) SYKIDH2MAP3K12ALDH1A1GAA
SCHEMBL13827138 0.76 IDH2 (0.46) SYKIDH2MAP3K12
SCHEMBL902723 0.76 POLB (0.44) ALDH1A1
SCHEMBL902494 0.75 IDH2 (0.56) SYKIDH2MAP3K12
SCHEMBL13827438 0.74 MAP3K12 (0.50) SYKMAP3K12
SCHEMBL16205244 0.74 SYK (0.46) SYKIDH2MAP3K12KIF11ALDH1A1
SCHEMBL16205251 0.72 SYK (0.48) SYKIDH2MAP3K12KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed