SCHEMBL901872

SCHEMBL901872

O=C(O)NCCc1cccc(-c2cccc(Nc3cnccn3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 11/20 0.52
BRAF P15056 2/20 0.42
HIF1A Q16665 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
NAMPT P43490 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL12469132 0.85 KARS1 (0.72) KARS1MEN1KMT2AJAK2NPC1
SCHEMBL901754 0.83 KARS1 (0.58) KARS1JAK2JAK1TYK2NPC1
SCHEMBL902093 0.82 TP53 (0.41) BRAFHIF1AMEN1KMT2ASIRT2
SCHEMBL902681 0.82 KARS1 (0.70) KARS1MEN1KMT2A
SCHEMBL901917 0.82 KARS1 (0.53) KARS1
SCHEMBL902605 0.82 KARS1 (0.56) KARS1NPC1RAB9A
SCHEMBL901722 0.82 KARS1 (0.52) KARS1SIRT2JAK2JAK1TYK2
SCHEMBL1705304 0.81 KARS1 (0.47) KARS1BRAFSIRT2
SCHEMBL901844 0.79 KARS1 (0.52) KARS1HIF1AMEN1KMT2A
SCHEMBL901364 0.78 KARS1 (0.48) KARS1SIRT2JAK2JAK1TYK2

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-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