SCHEMBL901557

SCHEMBL901557

O=C(Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCN(C(=O)O)CC3)c2)c1)c1ccc2c(c1)OCO2

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.65
MAPT P10636 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
NPC1 O15118 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
SCHEMBL902993 0.90 KARS1 (0.78) KARS1SMN1; SMN2RAB9ACASP3SENP7
SCHEMBL1704280 0.90 KARS1 (0.58) KARS1MAPTKDM4EHSD17B10MEN1
SCHEMBL901421 0.88 KARS1 (0.82) KARS1
SCHEMBL901833 0.87 KARS1 (0.72) KARS1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL901791 0.87 KARS1 (0.81) KARS1
SCHEMBL902036 0.86 KARS1 (0.81) KARS1MAPTMEN1KMT2AHTT
SCHEMBL902079 0.86 KARS1 (0.70) KARS1MEN1KMT2A
SCHEMBL901962 0.85 KARS1 (0.66) KARS1RAB9ANPC1
SCHEMBL901973 0.85 KARS1 (0.69) KARS1MAPTRAB9ATP53NPC1
SCHEMBL901757 0.84 KARS1 (0.66) KARS1

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