SCHEMBL25237331

SCHEMBL25237331

NC(=O)c1ccn2nccc2c1Br

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.38
JAK1 P23458 9/20 0.38
TYK2 P29597 9/20 0.38
JAK3 P52333 9/20 0.38
TGFBR1 P36897 2/20 0.37
ADRA1A P35348 1/20 0.37
IRAK4 Q9NWZ3 2/20 0.36
KDM4E B2RXH2 2/20 0.35
ELANE P08246 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RIPK2 O43353 1/20 0.35
PARP1 P09874 2/20 0.34

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
SCHEMBL25242656 0.86 L3MBTL1 (0.36) KDM4EELANEL3MBTL1
SCHEMBL25241903 0.81 KMT2A (0.39) KDM4E
SCHEMBL12493990 0.80 JAK2 (0.54) JAK2JAK1TYK2JAK3
SCHEMBL3458337 0.79 JAK2 (0.46) JAK2JAK1TYK2JAK3ADRA1A
SCHEMBL9102971 0.79 JAK2 (0.43) JAK2JAK1TYK2JAK3TGFBR1
SCHEMBL25240695 0.78 JAK2 (0.35) JAK2JAK1TYK2JAK3TGFBR1
SCHEMBL25776500 0.78 JAK2 (0.42) JAK2JAK1TYK2JAK3TGFBR1
SCHEMBL25421804 0.74 MAP4K4 (0.36)
SCHEMBL13731284 0.73 PARP1 (0.33) JAK2JAK1TYK2JAK3RIPK2
SCHEMBL30736370 0.71 SIRT3 (0.46) JAK2TGFBR1ADRA1AIRAK4KDM4E

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-2023116779-A1 DIALKYNE COMPOUND AND USE THEREOF 上海艾力斯医药科技股份有限公司 2023-06-29 WO disclosed