SCHEMBL24891796

SCHEMBL24891796

Cc1nc(NC(=O)c2ccc(C(=O)Nc3ccc(CNC(=N)N)cc3)cc2)cnc1C1=CCN(C(=N)N)CC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 2/20 0.41
JAK2 O60674 3/20 0.39
JAK1 P23458 3/20 0.39
TRPV1 Q8NER1 11/20 0.38
NAMPT P43490 1/20 0.36
BTK Q06187 2/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL30180853 1.00 TMPRSS2 (0.41) TMPRSS2JAK2JAK1TRPV1NAMPT
SCHEMBL30180909 0.85 TMPRSS2 (0.39) TMPRSS2JAK2JAK1NAMPTBTK
SCHEMBL30181035 0.84 NAMPT (0.43) TMPRSS2NAMPTBTKALDH1A1
SCHEMBL24891672 0.84 NAMPT (0.43) TMPRSS2NAMPTBTKALDH1A1
SCHEMBL24669387 0.83 TMPRSS2 (0.45) TMPRSS2NAMPTBTKALDH1A1
SCHEMBL24891885 0.83 TMPRSS2 (0.45) TMPRSS2NAMPTBTKALDH1A1
SCHEMBL24671535 0.82 TMPRSS2 (0.39) TMPRSS2JAK2JAK1TRPV1NAMPT
SCHEMBL30182455 0.82 NAMPT (0.46) JAK2JAK1TRPV1NAMPT
SCHEMBL30180918 0.81 TMPRSS2 (0.40) TMPRSS2JAK2JAK1NAMPTBTK
SCHEMBL24892250 0.80 PRKAA2 (0.40) TMPRSS2NAMPTALDH1A1

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-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