SCHEMBL901988

SCHEMBL901988

O=C(O)N1CCN(c2cc(-c3cc(CO)cc(Nc4cnccn4)n3)ccn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 16/20 0.55
SORD Q00796 1/20 0.39
DYRK1A Q13627 1/20 0.39
SLC6A7 Q99884 1/20 0.38
FAAH O00519 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
SCHEMBL901857 0.92 KARS1 (0.57) KARS1DYRK1ASLC6A7
SCHEMBL1704262 0.87 KARS1 (0.51) KARS1
SCHEMBL902003 0.87 KARS1 (0.61) KARS1SLC6A7FAAH
SCHEMBL901752 0.87 KARS1 (0.73) KARS1DYRK1ASLC6A7
SCHEMBL1704272 0.85 KARS1 (0.74) KARS1DYRK1ASLC6A7
SCHEMBL902013 0.85 KARS1 (0.58) KARS1
SCHEMBL902060 0.85 KARS1 (0.53) KARS1DYRK1ASLC6A7FAAH
SCHEMBL902071 0.85 KARS1 (0.72) KARS1
SCHEMBL902224 0.85 KARS1 (0.55) KARS1DYRK1A
SCHEMBL901757 0.85 KARS1 (0.66) 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 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