SCHEMBL25334166

SCHEMBL25334166

O=C(O)c1nn(C2CCOCC2)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
IRAK4 Q9NWZ3 15/20 0.37
IRAK1 P51617 2/20 0.34
EPHX2 P34913 1/20 0.33
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33

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
SCHEMBL25337033 0.89 EPHX2 (0.37) EPHX2
SCHEMBL23289669 0.79 JAK2 (0.42) JAK2JAK1TYK2IRAK4IRAK1
SCHEMBL16057033 0.78 ALDH1A1 (0.40) JAK2JAK1TYK2IRAK4IRAK1
SCHEMBL22235919 0.75 ALDH1A1 (0.38) EPHX2
SCHEMBL25067443 0.74 LRRK2 (0.41) JAK2JAK1TYK2IRAK4
SCHEMBL27121655 0.73 KDM5A (0.39) JAK2JAK1TYK2IRAK4
SCHEMBL12800200 0.73 IRAK4 (0.46) JAK2JAK1TYK2IRAK4IRAK1
SCHEMBL24660447 0.73 JAK2 (0.45) JAK2JAK1TYK2IRAK4IRAK1
SCHEMBL31226852 0.73 JAK1 (0.53) JAK2JAK1TYK2IRAK4IRAK1
SCHEMBL21996625 0.72 KDM5A (0.42) JAK2JAK1TYK2IRAK4FAAH

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
WO-2023143356-A1 METHIONINE ADENOSYLTRANSFERASE 2A INHIBITOR FOR TREATING MTAP DELETION-TYPE CANCER 勤浩医药(苏州)有限公司 2023-08-03 WO disclosed