SCHEMBL901298

SCHEMBL901298

O=C(Nc1cc(Nc2cnccn2)nc(-c2cccc(C3=CCNCC3)c2)c1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.64
SIRT2 Q8IXJ6 1/20 0.44
PDGFRB P09619 2/20 0.42
PDGFRA P16234 2/20 0.42
PRKD3 O94806 1/20 0.42
ABL1 P00519 1/20 0.42
PRKCG P05129 1/20 0.42
PRKCB P05771 1/20 0.42
BCR P11274 1/20 0.42
SRC P12931 1/20 0.42
PRKCA P17252 1/20 0.42
PRKCH P24723 1/20 0.42
PRKCI P41743 1/20 0.42
PRKCE Q02156 1/20 0.42
PRKCQ Q04759 1/20 0.42
PRKCZ Q05513 1/20 0.42
PRKCD Q05655 1/20 0.42
PRKD1 Q15139 1/20 0.42
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40

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
SCHEMBL901535 0.94 KARS1 (0.58) KARS1SIRT2ABL1BCRPRKCA
SCHEMBL1755681 0.93 KARS1 (0.56) KARS1SIRT2PDGFRBPDGFRAPRKD3
SCHEMBL902309 0.85 KARS1 (0.49) KARS1
SCHEMBL901769 0.84 KARS1 (0.60) KARS1SIRT2PDGFRBPDGFRAPRKD3
SCHEMBL1755672 0.83 KARS1 (0.49) KARS1KMT2A
SCHEMBL901538 0.81 KARS1 (0.60) KARS1
SCHEMBL1705115 0.79 KARS1 (0.55) KARS1JAK1
SCHEMBL901763 0.78 KARS1 (1.00) KARS1PRKD1
SCHEMBL1704879 0.78 KARS1 (0.68) KARS1SIRT2PDGFRBPDGFRAPRKD3
SCHEMBL1704666 0.78 KARS1 (0.51) KARS1PRKD1KMT2A

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 3 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
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed