SCHEMBL901804

SCHEMBL901804

COC(=O)c1cccc(C(=O)Nc2cc(Nc3cnccn3)nc(-c3ccnc(N4CCN(C(=O)O)CC4)c3)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.68
DYRK1A Q13627 3/20 0.44
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.39
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
GSK3B P49841 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
SCHEMBL901978 0.93 KARS1 (0.65) KARS1DYRK1AMEN1KMT2ARAF1
SCHEMBL902079 0.93 KARS1 (0.70) KARS1DYRK1AMEN1KMT2ARAF1
SCHEMBL902563 0.93 KARS1 (0.65) KARS1DYRK1ARAF1BRAFGSK3B
SCHEMBL903001 0.91 KARS1 (0.62) KARS1DYRK1ARAB9AMEN1KMT2A
SCHEMBL901421 0.91 KARS1 (0.82) KARS1DYRK1A
SCHEMBL901750 0.90 KARS1 (0.81) KARS1RAB9A
SCHEMBL902036 0.89 KARS1 (0.81) KARS1DYRK1AMEN1KMT2A
SCHEMBL902033 0.89 KARS1 (0.72) KARS1DYRK1AMEN1KMT2ARAF1
SCHEMBL901973 0.88 KARS1 (0.69) KARS1DYRK1ARAB9A
SCHEMBL902092 0.88 KARS1 (0.68) KARS1RAF1BRAF

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