SCHEMBL1704272

SCHEMBL1704272

CNc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCN(C(=O)O)CC3)c2)c1

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 16/20 0.74
DYRK1A Q13627 2/20 0.41
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
SLC6A7 Q99884 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
SCHEMBL901757 0.92 KARS1 (0.66) KARS1DYRK1ARAF1BRAF
SCHEMBL902995 0.88 KARS1 (0.67) KARS1
SCHEMBL902211 0.88 KARS1 (0.58) KARS1DYRK1A
SCHEMBL901752 0.87 KARS1 (0.73) KARS1DYRK1ASLC6A7
SCHEMBL902003 0.87 KARS1 (0.61) KARS1SLC6A7
SCHEMBL901421 0.87 KARS1 (0.82) KARS1DYRK1ASLC6A7
SCHEMBL902684 0.87 KARS1 (0.61) KARS1
SCHEMBL902224 0.86 KARS1 (0.55) KARS1DYRK1A
SCHEMBL901791 0.86 KARS1 (0.81) KARS1DYRK1ARAF1BRAF
SCHEMBL902036 0.86 KARS1 (0.81) KARS1DYRK1A

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 1 patent. 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