SCHEMBL901312

SCHEMBL901312

Cc1ccnc(Nc2cccc(-c3cccc(C4=CCN(C(=O)O)CC4)c3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 12/20 0.54
MAP3K12 Q12852 2/20 0.44
SYK P43405 2/20 0.42
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
JAK2 O60674 1/20 0.41
KMO O15229 1/20 0.41

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
SCHEMBL1704197 0.88 KARS1 (0.49) KARS1SYK
SCHEMBL902090 0.87 KARS1 (0.55) KARS1SYKKMO
SCHEMBL1704842 0.87 KARS1 (0.52) KARS1ALDH1A1SMN1; SMN2
SCHEMBL1704967 0.83 ALDH1A1 (0.44) KARS1MAP3K12ALDH1A1SMN1; SMN2JAK2
SCHEMBL902774 0.83 ALDH1A1 (0.37) KARS1ALDH1A1SMN1; SMN2
SCHEMBL901929 0.79 KARS1 (0.55) KARS1MAP3K12SYK
SCHEMBL1704662 0.79 KARS1 (0.72) KARS1MAP3K12SYKALDH1A1SMN1; SMN2
SCHEMBL901948 0.78 KARS1 (0.46) KARS1SYKALDH1A1SMN1; SMN2
SCHEMBL901243 0.77 KARS1 (0.59) KARS1SYK
SCHEMBL901679 0.76 MAPT (0.46) ALDH1A1SMN1; SMN2

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