SCHEMBL1704403

SCHEMBL1704403

NCCc1cccc(-c2cc3ccccc3c(Nc3cnccn3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 3/20 0.47
PRKCH P24723 4/20 0.45
PRKCE Q02156 4/20 0.45
SYK P43405 7/20 0.39
PRKCA P17252 4/20 0.39
PRKCD Q05655 4/20 0.39
PRKCB P05771 2/20 0.39
PRKCQ Q04759 2/20 0.39
PRKD1 Q15139 2/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
PKN1 Q16512 1/20 0.38
PKN2 Q16513 1/20 0.38
KDR P35968 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
ACP1 P24666 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
SCHEMBL902093 0.84 TP53 (0.41) SIRT2MEN1KMT2AGBA1
SCHEMBL1704065 0.82 KARS1 (0.48) KARS1PRKCHPRKCESYKROCK1
SCHEMBL902681 0.80 KARS1 (0.70) KARS1KDRMEN1ALDH1A1HPGD
SCHEMBL1704516 0.80 SIRT2 (0.36) PRKCHSYKPRKCAPRKCDPRKD1
SCHEMBL30639507 0.74 CHRNA7 (0.50) KARS1
SCHEMBL27032743 0.74 CHRNA7 (0.50) KARS1
SCHEMBL1704286 0.71 KDR (0.39) PKN2KDRSIRT2MEN1ALDH1A1
SCHEMBL902028 0.68 CA12 (0.45) SYK
SCHEMBL902433 0.67 FDPS (0.43) PKN2KDRSIRT2MEN1ALDH1A1
SCHEMBL902035 0.67 KARS1 (0.48) KARS1SYKSIRT2

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