SCHEMBL31489009

SCHEMBL31489009

CC(C)(O)CNC(=O)C12CCC(c3ccc(NC(=O)N4Cc5ncsc5C4)cc3)(CC1)CC2

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 19/20 0.46
IRAK4 Q9NWZ3 1/20 0.38
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 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
SCHEMBL31488927 0.83 NAMPT (0.68) NAMPT
SCHEMBL31489030 0.83 MAPK1 (0.36) NAMPT
SCHEMBL31488874 0.82 NAMPT (0.64) NAMPTCYP3A4CYP2C9
SCHEMBL31489170 0.82 NAMPT (0.51) NAMPT
SCHEMBL31488810 0.78 NAMPT (0.68) NAMPT
SCHEMBL31489001 0.74 NAMPT (0.52) NAMPTCYP3A4CYP2C9
SCHEMBL31488890 0.70 NAMPT (0.69) NAMPT
SCHEMBL31488812 0.69 TAS1R3 (0.51) NAMPTCYP3A4CYP2C9
SCHEMBL31488983 0.68 NAMPT (0.66) NAMPTCYP3A4CYP2C9
SCHEMBL31488914 0.68 RAB9A (0.41) NAMPT

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-2025072437-A1 HETEROARYL COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS ALPHINA THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed