SCHEMBL901978

SCHEMBL901978

COC(=O)c1cncc(C(=O)Nc2cc(Nc3cnccn3)nc(-c3ccnc(N4CCN(C(=O)O)CC4)c3)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.65
DYRK1A Q13627 5/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GSK3B P49841 2/20 0.39
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39

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
SCHEMBL902079 0.94 KARS1 (0.70) KARS1DYRK1AMEN1KMT2AGSK3B
SCHEMBL901804 0.93 KARS1 (0.68) KARS1DYRK1AMEN1KMT2AGSK3B
SCHEMBL901426 0.91 KARS1 (0.61) KARS1DYRK1AMEN1KMT2AGSK3B
SCHEMBL902033 0.90 KARS1 (0.72) KARS1DYRK1AMEN1KMT2AGSK3B
SCHEMBL901791 0.89 KARS1 (0.81) KARS1DYRK1AGSK3BRAF1BRAF
SCHEMBL901973 0.89 KARS1 (0.69) KARS1DYRK1A
SCHEMBL902036 0.88 KARS1 (0.81) KARS1DYRK1AMEN1KMT2A
SCHEMBL901421 0.88 KARS1 (0.82) KARS1DYRK1A
SCHEMBL901757 0.86 KARS1 (0.66) KARS1DYRK1ARAF1BRAF
SCHEMBL902563 0.86 KARS1 (0.65) KARS1DYRK1AGSK3BRAF1BRAF

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