SCHEMBL31479880

SCHEMBL31479880

Cc1ncc2c(-c3ccc(F)cc3C(=O)N(CC(F)F)C(C)C)cc(N3CCNCC3)cn12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.34
ACVR1 Q04771 6/20 0.33
HDAC3 O15379 4/20 0.33
BMPR1B O00238 3/20 0.33
TGFBR1 P36897 3/20 0.33
ACVRL1 P37023 3/20 0.33
KDR P35968 2/20 0.33
ACVR1B P36896 2/20 0.33
TGFBR2 P37173 2/20 0.33
MAP4K4 O95819 1/20 0.33
TNIK Q9UKE5 1/20 0.33
PDGFRB P09619 1/20 0.33
RIPK2 O43353 2/20 0.32
NOD2 Q9HC29 2/20 0.32
CDK6 Q00534 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
HTR6 P50406 1/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 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
SCHEMBL31479296 0.92 HCRTR1 (0.36) ACVR1HDAC3BMPR1BTGFBR1ACVRL1
SCHEMBL31479662 0.90 HCRTR1 (0.35) ACVR1HDAC3BMPR1BTGFBR1ACVRL1
SCHEMBL31479471 0.87 SLC6A2 (0.33) HCRTR1HCRTR2
SCHEMBL31479700 0.86 RET (0.37)
SCHEMBL31479391 0.85 MEN1 (0.41)
SCHEMBL31479476 0.85 HCRTR1 (0.32) HCRTR1HCRTR2
SCHEMBL31479725 0.85 HCRTR1 (0.36) ALKACVR1HDAC3BMPR1BTGFBR1
SCHEMBL31479179 0.85 HDAC3 (0.34) ALKACVR1HDAC3BMPR1BTGFBR1
SCHEMBL31479580 0.84 SLC6A2 (0.35) HCRTR1HCRTR2
SCHEMBL31479031 0.83 GRIN2B (0.35) TGFBR1HCRTR1HCRTR2

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