SCHEMBL901769

SCHEMBL901769

O=C(Nc1cc(Nc2cnccn2)nc(-c2cccc(C3=CCN(C(=O)O)CC3)c2)c1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 11/20 0.60
SIRT2 Q8IXJ6 1/20 0.43
PRKD3 O94806 1/20 0.41
ABL1 P00519 1/20 0.41
PRKCG P05129 1/20 0.41
PRKCB P05771 1/20 0.41
PDGFRB P09619 1/20 0.41
BCR P11274 1/20 0.41
SRC P12931 1/20 0.41
PDGFRA P16234 1/20 0.41
PRKCA P17252 1/20 0.41
PRKCH P24723 1/20 0.41
PRKCI P41743 1/20 0.41
PRKCE Q02156 1/20 0.41
PRKCQ Q04759 1/20 0.41
PRKCZ Q05513 1/20 0.41
PRKCD Q05655 1/20 0.41
PRKD1 Q15139 1/20 0.41
NAMPT P43490 4/20 0.41
NPC1 O15118 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
SCHEMBL1705115 0.90 KARS1 (0.55) KARS1NAMPTJAK1
SCHEMBL1704307 0.89 KARS1 (0.49) KARS1SIRT2ABL1NAMPT
SCHEMBL901948 0.89 KARS1 (0.46) KARS1NAMPTNPC1ALDH1A1ALOX15
SCHEMBL1704842 0.85 KARS1 (0.52) KARS1NAMPTNPC1ALDH1A1ALOX15
SCHEMBL901298 0.84 KARS1 (0.64) KARS1SIRT2PRKD3ABL1PRKCG
SCHEMBL1704574 0.83 KARS1 (0.48) KARS1ABL1PDGFRBNAMPTJAK1
SCHEMBL901335 0.82 KARS1 (0.44) KARS1NAMPT
SCHEMBL901421 0.80 KARS1 (0.82) KARS1SIRT2PRKD1JAK2JAK1
SCHEMBL1705014 0.80 ALDH1A1 (0.44) KARS1SIRT2NAMPTNPC1ALDH1A1
SCHEMBL901535 0.78 KARS1 (0.58) KARS1SIRT2ABL1BCRPRKCA

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