SCHEMBL31479296

SCHEMBL31479296

CCN(C(=O)c1cc(F)ccc1-c1cc(N2CCNCC2)cn2c(C)ncc12)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 7/20 0.36
HCRTR2 O43614 7/20 0.36
ACVR1 Q04771 7/20 0.36
BMPR1B O00238 2/20 0.36
KDR P35968 2/20 0.36
ACVR1B P36896 2/20 0.36
TGFBR1 P36897 2/20 0.36
ACVRL1 P37023 2/20 0.36
TGFBR2 P37173 2/20 0.36
PDGFRB P09619 1/20 0.36
HDAC3 O15379 2/20 0.34
MAP4K4 O95819 1/20 0.34
TNIK Q9UKE5 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNH2 Q12809 1/20 0.33
RIPK2 O43353 4/20 0.33
NOD2 Q9HC29 4/20 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
SCHEMBL31479662 0.98 HCRTR1 (0.35) HCRTR1HCRTR2ACVR1BMPR1BKDR
SCHEMBL31479880 0.92 ALK (0.34) HCRTR1HCRTR2ACVR1BMPR1BKDR
SCHEMBL31479725 0.91 HCRTR1 (0.36) HCRTR1HCRTR2ACVR1BMPR1BKDR
SCHEMBL31479756 0.89 HCRTR1 (0.36) HCRTR1HCRTR2MEN1KMT2AKCNH2
SCHEMBL31478986 0.88 MEN1 (0.36) HCRTR1HCRTR2MEN1KMT2AKCNH2
SCHEMBL31479294 0.87 HCRTR1 (0.36) HCRTR1HCRTR2MEN1KMT2AKCNH2
SCHEMBL31479179 0.86 HDAC3 (0.34) ACVR1BMPR1BTGFBR1ACVRL1HDAC3
SCHEMBL31478997 0.85 HCRTR1 (0.36) HCRTR1HCRTR2ACVR1BMPR1BKDR
SCHEMBL31479368 0.85 HCRTR1 (0.34) HCRTR1HCRTR2ACVR1BMPR1BKDR
SCHEMBL31479417 0.84 HCRTR1 (0.37) HCRTR1HCRTR2TGFBR1MEN1KMT2A

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