SCHEMBL901894

SCHEMBL901894

Cc1ccnc(Nc2cccc(-c3cccc(CCOC(N)=O)c3)n2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 12/20 0.71
NR3C2 P08235 1/20 0.44
JAK2 O60674 1/20 0.42
RAB9A P51151 3/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SYK P43405 2/20 0.40
MAP4K4 O95819 1/20 0.39
ABL1 P00519 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
IGF1R P08069 1/20 0.39

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
SCHEMBL902700 0.88 KARS1 (0.54) KARS1NR3C2SYK
SCHEMBL901879 0.84 KARS1 (0.71) KARS1JAK2RAB9AMEN1NPC1
SCHEMBL902772 0.83 KARS1 (1.00) KARS1RAB9AMEN1NPC1KMT2A
SCHEMBL12469132 0.83 KARS1 (0.72) KARS1NR3C2JAK2RAB9AMEN1
SCHEMBL1704304 0.83 KARS1 (0.72) KARS1JAK2RAB9AMEN1NPC1
SCHEMBL902781 0.81 KARS1 (1.00) KARS1RAB9AMEN1NPC1KMT2A
SCHEMBL901655 0.80 KARS1 (0.70) KARS1JAK2RAB9AMEN1NPC1
SCHEMBL902758 0.78 KARS1 (0.64) KARS1JAK2RAB9AMEN1NPC1
SCHEMBL10268299 0.76 KARS1 (0.70) KARS1JAK2RAB9AMEN1NPC1
SCHEMBL902728 0.75 KARS1 (1.00) KARS1RAB9AMEN1NPC1KMT2A

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