SCHEMBL901364

SCHEMBL901364

Nc1cc(Nc2cnccn2)nc(-c2cccc(CCC(=O)O)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 6/20 0.48
SYK P43405 5/20 0.44
RHOA P61586 1/20 0.42
FFAR1 O14842 4/20 0.41
PIM2 Q9P1W9 1/20 0.40
FYN P06241 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 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
SCHEMBL902035 0.92 KARS1 (0.48) KARS1SYKFYNSIRT2JAK2
SCHEMBL902197 0.86 KARS1 (0.43) KARS1SYKSIRT2JAK2JAK1
SCHEMBL901884 0.85 KMT2A (0.42) KARS1SYKRHOAFFAR1PIM2
SCHEMBL901940 0.85 KMT2A (0.42) KARS1SYKRHOAFFAR1PIM2
SCHEMBL901992 0.78 KMT2A (0.42) KARS1SIRT2
SCHEMBL901872 0.78 KARS1 (0.52) KARS1SIRT2JAK2JAK1TYK2
SCHEMBL902681 0.74 KARS1 (0.70) KARS1PIM2FYN
SCHEMBL901722 0.74 KARS1 (0.52) KARS1SIRT2JAK2JAK1TYK2
SCHEMBL902167 0.72 KMT2A (0.38) KARS1SYK
SCHEMBL902093 0.71 TP53 (0.41) SIRT2

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 4 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 claimed
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO claimed
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