SCHEMBL1704842

SCHEMBL1704842

O=C(O)N1CC=C(c2cccc(-c3cccc(Nc4cnccn4)n3)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 13/20 0.52
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NAMPT P43490 2/20 0.40
CDK9 P50750 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 2/20 0.39
TSHR P16473 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 1/20 0.37

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
SCHEMBL901948 0.91 KARS1 (0.46) KARS1ALDH1A1SMN1; SMN2NAMPTCDK9
SCHEMBL1705279 0.87 GRM1 (0.47) KARS1NAMPT
SCHEMBL901312 0.87 KARS1 (0.54) KARS1ALDH1A1SMN1; SMN2
SCHEMBL901769 0.85 KARS1 (0.60) KARS1ALDH1A1SMN1; SMN2NAMPTALOX15
SCHEMBL902090 0.84 KARS1 (0.55) KARS1
SCHEMBL1705014 0.83 ALDH1A1 (0.44) KARS1ALDH1A1SMN1; SMN2NAMPTCDK9
SCHEMBL901876 0.80 KARS1 (0.71) KARS1ALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL1704352 0.80 GRM1 (0.46) KARS1NAMPT
SCHEMBL902774 0.79 ALDH1A1 (0.37) KARS1ALDH1A1SMN1; SMN2KDM4EALOX15
SCHEMBL1704307 0.79 KARS1 (0.49) KARS1NAMPT

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 1 patent. 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