SCHEMBL901791

SCHEMBL901791

O=C(Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCN(C(=O)O)CC3)c2)c1)c1cncnc1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.81
RAF1 P04049 2/20 0.46
BRAF P15056 2/20 0.46
DYRK1A Q13627 5/20 0.43
GSK3B P49841 2/20 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
SCHEMBL902036 0.93 KARS1 (0.81) KARS1DYRK1A
SCHEMBL901421 0.93 KARS1 (0.82) KARS1DYRK1A
SCHEMBL901833 0.90 KARS1 (0.72) KARS1RAF1BRAFDYRK1A
SCHEMBL1704268 0.89 KARS1 (1.00) KARS1RAF1BRAF
SCHEMBL901978 0.89 KARS1 (0.65) KARS1RAF1BRAFDYRK1AGSK3B
SCHEMBL901757 0.89 KARS1 (0.66) KARS1RAF1BRAFDYRK1A
SCHEMBL902079 0.89 KARS1 (0.70) KARS1RAF1BRAFDYRK1AGSK3B
SCHEMBL1704600 0.89 KARS1 (0.73) KARS1RAF1BRAFDYRK1A
SCHEMBL901973 0.88 KARS1 (0.69) KARS1DYRK1A
SCHEMBL901557 0.87 KARS1 (0.65) 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