SCHEMBL31362222

SCHEMBL31362222

CC(C)(C)OC(=O)n1nc(C#N)c2c(Br)cccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.38
F2 P00734 1/20 0.38
PLAU P00749 1/20 0.38
CTRB1 P17538 1/20 0.38
MAP2K4 P45985 1/20 0.37
NR1H2 P55055 3/20 0.34
KCNH2 Q12809 1/20 0.34
NR1H3 Q13133 1/20 0.33
UCHL1 P09936 1/20 0.33
P2RX3 P56373 1/20 0.33
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
JAK1 P23458 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PLCG1 P19174 1/20 0.32
BCHE P06276 1/20 0.32
PIK3R1 P27986 1/20 0.31
PIK3CA P42336 1/20 0.31
GPR119 Q8TDV5 1/20 0.31

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
SCHEMBL16724831 0.81 MAP2K4 (0.39) ELANEMAP2K4NR1H2UCHL1P2RX3
SCHEMBL28164583 0.80 MAP2K4 (0.43) ELANEMAP2K4NR1H2NR1H3UCHL1
SCHEMBL28298923 0.79 MAP2K4 (0.38) ELANEMAP2K4NR1H2UCHL1P2RX3
SCHEMBL25281552 0.76 SMN1; SMN2 (0.42) ELANEF2PLAUCTRB1MAP2K4
SCHEMBL185524 0.76 MAP2K4 (0.39) MAP2K4NR1H2NR1H3JAK1KDM4E
SCHEMBL29793615 0.73 NR1H2 (0.43) NR1H2NR1H3UCHL1BCHEGPR119
SCHEMBL28817783 0.73 NR1H2 (0.43) NR1H2NR1H3UCHL1BCHEGPR119
SCHEMBL15149187 0.71 NPC1 (0.38) ELANEMAP2K4KCNH2ALDH1A1
SCHEMBL30910202 0.71 MAPK13 (0.36) ELANEF2PLAUCTRB1
SCHEMBL3668968 0.71 MAP2K4 (0.44) MAP2K4NR1H2NR1H3UCHL1KDM4E

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
CN-115836054-B IL4I1 inhibitors and methods of use 默沙东有限责任公司 2024-12-10 CN disclosed