SCHEMBL901741

SCHEMBL901741

Cc1ccnc(Nc2cccc(-c3cccc(NCCNC(=O)O)c3)n2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 12/20 0.74
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PHGDH O43175 1/20 0.46
MAP4K4 O95819 1/20 0.45
ABL1 P00519 1/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
IGF1R P08069 1/20 0.45
LTK P29376 1/20 0.45
KDR P35968 1/20 0.45

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
SCHEMBL901307 0.90 KARS1 (0.77) KARS1KDM4EMEN1NPC1ALDH1A1
SCHEMBL1704058 0.85 KARS1 (1.00) KARS1KDM4EMEN1NPC1ALDH1A1
SCHEMBL12469132 0.84 KARS1 (0.72) KARS1KDM4EMEN1NPC1ALDH1A1
SCHEMBL12469502 0.84 KARS1 (0.74) KARS1KDM4EMEN1NPC1ALDH1A1
SCHEMBL1704345 0.78 KARS1 (0.59) KARS1SYK
SCHEMBL901724 0.78 KARS1 (0.57) KARS1SYK
SCHEMBL901655 0.77 KARS1 (0.70) KARS1KDM4EMEN1NPC1ALDH1A1
SCHEMBL901754 0.76 KARS1 (0.58) KARS1NPC1MAPTHTTRAB9A
SCHEMBL901241 0.76 KARS1 (1.00) KARS1MEN1NPC1MAPTHTT
SCHEMBL1755683 0.74 KARS1 (1.00) KARS1NPC1MAPTHTTRAB9A

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