SCHEMBL30180909

SCHEMBL30180909

N=C(N)NCc1ccc(NC(=O)c2ccc(C(=O)Nc3cnc(C4=CCN(C(=N)N)CC4)cn3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 5/20 0.39
NAMPT P43490 7/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
ALDH1A1 P00352 1/20 0.36
WNT3A P56704 2/20 0.36
F2 P00734 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
BTK Q06187 2/20 0.35

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
SCHEMBL24892076 0.89 WNT3A (0.36) NAMPTWNT3A
SCHEMBL30180901 0.89 WNT3A (0.38) NAMPTWNT3A
SCHEMBL24891824 0.89 WNT3A (0.38) NAMPTWNT3A
SCHEMBL30181035 0.88 NAMPT (0.43) TMPRSS2NAMPTALDH1A1EGLN1BTK
SCHEMBL24891672 0.88 NAMPT (0.43) TMPRSS2NAMPTALDH1A1EGLN1BTK
SCHEMBL24892079 0.87 WNT3A (0.39) TMPRSS2NAMPTWNT3A
SCHEMBL30180918 0.87 TMPRSS2 (0.40) TMPRSS2NAMPTJAK2JAK1F2
SCHEMBL24669387 0.86 TMPRSS2 (0.45) TMPRSS2NAMPTALDH1A1F2BTK
SCHEMBL24891885 0.86 TMPRSS2 (0.45) TMPRSS2NAMPTALDH1A1F2BTK
SCHEMBL24891796 0.85 TMPRSS2 (0.41) TMPRSS2NAMPTJAK2JAK1ALDH1A1

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-2023287736-A1 NOVEL BIS-AMIDE CONTAINING COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2023-01-19 WO claimed
WO-2023287736-A1 NOVEL BIS-AMIDE CONTAINING COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2023-01-19 WO disclosed