SCHEMBL902820

SCHEMBL902820

CC(C)(C)c1ccnc(Nc2cccc(-c3cccc(CCN)c3)n2)c1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 14/20 0.74
SYK P43405 4/20 0.39
IDH2 P48735 1/20 0.38
HTR7 P34969 1/20 0.36

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
SCHEMBL902073 0.89 KARS1 (0.71) KARS1SYKIDH2
SCHEMBL902772 0.85 KARS1 (1.00) KARS1SYKHTR7
SCHEMBL902700 0.84 KARS1 (0.54) KARS1SYK
SCHEMBL902605 0.84 KARS1 (0.56) KARS1SYK
SCHEMBL1755661 0.83 KARS1 (0.74) KARS1SYK
SCHEMBL1704492 0.81 KARS1 (0.51) KARS1SYKIDH2
SCHEMBL902681 0.80 KARS1 (0.70) KARS1
SCHEMBL1704064 0.79 KARS1 (0.69) KARS1SYK
SCHEMBL10268805 0.79 KARS1 (0.69) KARS1HTR7
SCHEMBL1705223 0.77 KARS1 (0.47) KARS1SYK

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 4 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 claimed
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed
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