SCHEMBL31479536

SCHEMBL31479536

CCN(C(=O)c1cc(F)ccc1-c1cc(C2(F)CCN(C(=O)OC(C)(C)C)C2)cc2c1cnn2C)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.34
JAK1 P23458 8/20 0.34
JAK3 P52333 1/20 0.33
PTK2 Q05397 1/20 0.33
RORC P51449 3/20 0.33
GPR119 Q8TDV5 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNH2 Q12809 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CDK9 P50750 1/20 0.32

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
SCHEMBL31479345 0.92 JAK2 (0.34) JAK2JAK1JAK3PTK2RORC
SCHEMBL31479730 0.89 ALOX5AP (0.36) JAK2JAK1JAK3PTK2GPR119
SCHEMBL31479712 0.83 MEN1 (0.44) JAK2JAK1MEN1KMT2AKCNH2
SCHEMBL31479578 0.83 RORC (0.34) JAK2JAK1RORCGPR119MEN1
SCHEMBL31478983 0.83 MEN1 (0.35) MEN1KMT2AKCNH2ALOX5APFEN1
SCHEMBL31479852 0.82 GPBAR1 (0.40) JAK2JAK3PTK2GPR119ALOX5AP
SCHEMBL31479262 0.81 GPR119 (0.39) GPR119ALOX5APFEN1SMN1; SMN2
SCHEMBL31479320 0.81 GPR119 (0.39) GPR119ALOX5APFEN1SMN1; SMN2
SCHEMBL31479837 0.81 GPR119 (0.39) GPR119ALOX5APFEN1SMN1; SMN2
SCHEMBL31479564 0.81 HCRTR1 (0.34) MEN1KMT2AKCNH2

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-2025067111-A1 MENIN-MLL INTERACTION INHIBITOR AND PREPARATION METHOD THEREFOR, AND APPLICATION 苏州必扬医药科技有限公司 2025-04-03 WO disclosed