SCHEMBL902044

SCHEMBL902044

Nc1cc(Nc2cnccn2)nc(-c2cncc(N3CCN(C(=O)O)CC3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 14/20 0.51
FAAH O00519 2/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
SYK P43405 1/20 0.35
DHFR P00374 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 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
SCHEMBL1704429 0.87 KARS1 (0.46) KARS1ADORA2ASYKMEN1KMT2A
SCHEMBL901813 0.85 ALDH1A1 (0.40) KARS1FAAHADORA2AADORA1ALDH1A1
SCHEMBL1704491 0.84 KARS1 (0.70) KARS1
SCHEMBL901752 0.84 KARS1 (0.73) KARS1
SCHEMBL901876 0.77 KARS1 (0.71) KARS1FAAHDHFRMEN1ALDH1A1
SCHEMBL901761 0.73 KARS1 (0.54) KARS1ALDH1A1
SCHEMBL901738 0.73 KARS1 (0.58) KARS1SYK
SCHEMBL1704643 0.73 MAPT (0.47) KARS1SYKMEN1ALDH1A1KMT2A
SCHEMBL902088 0.73 KARS1 (0.56) KARS1SYK
SCHEMBL902064 0.72 HDAC1 (0.42) KARS1FAAHMEN1ALDH1A1HTT

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