SCHEMBL901702

SCHEMBL901702

O=C(O)N1CCN(c2cc(-c3nc(Nc4cnccn4)cc4ccccc34)ccn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.51
SLC6A7 Q99884 1/20 0.42
FAAH O00519 1/20 0.41
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
MAPK10 P53779 2/20 0.37
DYRK1A Q13627 1/20 0.37

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
SCHEMBL901704 0.87 CKS1B (0.48) KARS1
SCHEMBL901353 0.87 MAPK1 (0.41) KARS1FAAHLMNAMAPK1MAPK10
SCHEMBL901949 0.87 KARS1 (0.48) KARS1
SCHEMBL901890 0.87 KARS1 (0.45) KARS1SLC6A7FAAHLMNAMAPK1
SCHEMBL901954 0.86 FAAH (0.41) KARS1FAAHLMNAMAPK1MAPK10
SCHEMBL1704427 0.85 KARS1 (0.44) KARS1
SCHEMBL901245 0.85 KARS1 (0.52) KARS1
SCHEMBL901708 0.85 KARS1 (0.66) KARS1DYRK1A
SCHEMBL902548 0.84 JAK2 (0.41) KARS1
SCHEMBL902003 0.83 KARS1 (0.61) KARS1SLC6A7FAAHLMNAMAPK1

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