SCHEMBL31497003

SCHEMBL31497003

O=C(NCc1ccccn1)c1nnc(CCCCc2nnc(C(=O)NCc3cc(C(F)(F)F)ccn3)s2)s1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GLS O94925 19/20 0.62
SORT1 Q99523 1/20 0.53

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
SCHEMBL31497048 0.94 GLS (0.68) GLS
SCHEMBL31497005 0.91 GLS (0.61) GLS
SCHEMBL31497009 0.89 GLS (0.76) GLS
SCHEMBL31497030 0.89 GLS (0.59) GLS
SCHEMBL31497083 0.88 GLS (0.58) GLS
SCHEMBL31497011 0.85 GLS (0.64) GLS
SCHEMBL31497062 0.85 GLS (0.61) GLS
SCHEMBL31497034 0.85 GLS (0.62) GLS
SCHEMBL31497025 0.83 GLS (0.57) GLS
SCHEMBL31497076 0.82 GLS (0.62) GLS

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025080100-A1 NOVEL DI-AMIDE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF CANCER OR AUTOIMMUNE DISEASES, COMPRISING SAME AS ACTIVE INGREDIENT 한국화학연구원 2025-04-17 WO claimed
WO-2025080100-A1 NOVEL DI-AMIDE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF CANCER OR AUTOIMMUNE DISEASES, COMPRISING SAME AS ACTIVE INGREDIENT 한국화학연구원 2025-04-17 WO disclosed