SCHEMBL901890

SCHEMBL901890

O=C(O)N1CCN(c2cc(-c3nc(Nc4cnccn4)cc4ccccc34)ccn2)C(=O)C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.45
FAAH O00519 1/20 0.36
SLC6A7 Q99884 1/20 0.34
LYN P07948 1/20 0.34
SRC P12931 1/20 0.34
BTK Q06187 1/20 0.34
LMNA P02545 2/20 0.33
ITK Q08881 1/20 0.33
MAPK1 P28482 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33

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
SCHEMBL902855 0.88 KARS1 (0.40) KARS1
SCHEMBL901702 0.87 KARS1 (0.51) KARS1FAAHSLC6A7LMNAMAPK1
SCHEMBL901736 0.82 KARS1 (0.51) KARS1
SCHEMBL901705 0.81 P2RX7 (0.38) LMNAMAPK1
SCHEMBL902032 0.78 KARS1 (0.52) KARS1
SCHEMBL901704 0.77 CKS1B (0.48) KARS1
SCHEMBL901245 0.76 KARS1 (0.52) KARS1
SCHEMBL901300 0.76 KARS1 (0.49) KARS1
SCHEMBL901409 0.76 KARS1 (0.41) KARS1
SCHEMBL901708 0.76 KARS1 (0.66) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed