SCHEMBL23699643

SCHEMBL23699643

CC(Br)c1nc(Oc2cccc(C#N)c2)ccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
JAK3 P52333 1/20 0.47
HRH3 Q9Y5N1 2/20 0.46
EGLN1 Q9GZT9 1/20 0.44
F10 P00742 4/20 0.44
MAP4K4 O95819 1/20 0.43
PTGER4 P35408 1/20 0.42
PTGER2 P43116 1/20 0.42
SYK P43405 1/20 0.41
XDH P47989 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
MGLL Q99685 1/20 0.39
GRM5 P41594 2/20 0.39
GSK3B P49841 1/20 0.38
NOTUM Q6P988 1/20 0.37
ALOX5 P09917 1/20 0.37
HAO1 Q9UJM8 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
SCHEMBL19808823 0.89 JAK2 (0.48) JAK2JAK1JAK3HRH3EGLN1
SCHEMBL28246634 0.83 F10 (0.41) JAK2JAK1JAK3HRH3F10
SCHEMBL6576129 0.81 F10 (0.65) JAK2JAK1JAK3HRH3EGLN1
SCHEMBL19808866 0.80 EGLN1 (0.48) JAK2JAK1JAK3HRH3EGLN1
SCHEMBL19808803 0.75 JAK2 (0.44) JAK2JAK1JAK3EGLN1MAP4K4
SCHEMBL19808875 0.75 P2RX3 (0.41) HRH3EGLN1PTGER4XDHSLC22A12
SCHEMBL6579300 0.75 MAP4K4 (0.62) JAK2JAK1JAK3HRH3EGLN1
SCHEMBL6578795 0.74 F10 (0.62) JAK2JAK1JAK3HRH3EGLN1
SCHEMBL6773056 0.73 F10 (0.67) JAK2JAK1JAK3EGLN1F10
SCHEMBL19808883 0.73 L3MBTL1 (0.52) JAK2JAK1JAK3HRH3EGLN1

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-3275881-B1 COMPOUND OF 5-HYDROXYL-1,7-NAPHTHYRIDINE SUBSTITUTED BY ARYLOXY OR HETEROOXY, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE THEREOF SHENYANG SUNSHINE PHARMACEUTICAL CO LTD (CN) 2021-08-04 EP disclosed