SCHEMBL901935

SCHEMBL901935

O=C(CCc1ccccc1)Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCN(C(=O)O)CC3)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.65
SLC2A1 P11166 1/20 0.42
ALDH1A1 P00352 1/20 0.40
BUB1 O43683 1/20 0.38
LMNA P02545 1/20 0.38
FAAH O00519 1/20 0.37
PORCN Q9H237 1/20 0.37

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
SCHEMBL1704695 0.91 KARS1 (0.79) KARS1
SCHEMBL1704770 0.90 KARS1 (0.59) KARS1
SCHEMBL901834 0.89 KARS1 (0.82) KARS1
SCHEMBL1704693 0.88 KARS1 (0.59) KARS1
SCHEMBL901421 0.86 KARS1 (0.82) KARS1FAAH
SCHEMBL901757 0.86 KARS1 (0.66) KARS1
SCHEMBL901431 0.86 KARS1 (0.60) KARS1FAAH
SCHEMBL901964 0.85 KARS1 (0.67) KARS1
SCHEMBL902144 0.85 KARS1 (0.59) KARS1FAAH
SCHEMBL1704272 0.84 KARS1 (0.74) KARS1

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