SCHEMBL1704555

SCHEMBL1704555

CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(C#N)cc(Nc4cnccn4)n3)ccn2)CC1.NCc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCN(C(=O)O)CC3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.46
TBK1 Q9UHD2 5/20 0.43
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
SYK P43405 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
SCHEMBL1704675 0.92 KARS1 (0.51) KARS1TBK1SYK
SCHEMBL1704933 0.91 KARS1 (0.53) KARS1TBK1JAK2JAK1SYK
SCHEMBL901857 0.86 KARS1 (0.57) KARS1
SCHEMBL902013 0.86 KARS1 (0.58) KARS1JAK2JAK1
SCHEMBL1704262 0.85 KARS1 (0.51) KARS1TBK1SYK
SCHEMBL901333 0.82 KARS1 (0.65) KARS1TBK1SYK
SCHEMBL1704341 0.81 KARS1 (0.55) KARS1SYK
SCHEMBL901508 0.81 KARS1 (0.56) KARS1TBK1SYK
SCHEMBL1704925 0.81 KARS1 (0.47) KARS1TBK1SYK
SCHEMBL1704936 0.80 KARS1 (0.49) KARS1TBK1SYK

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