SCHEMBL24671223

SCHEMBL24671223

N=C(N)NCc1ccc(C(=O)Nc2ccc(C3=CCN(C(=N)N)CC3)c(F)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 7/20 0.45
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
MAPT P10636 3/20 0.38
TRPV1 Q8NER1 2/20 0.37
NAMPT P43490 1/20 0.36
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
BTK Q06187 2/20 0.36
KDM1A O60341 1/20 0.35
HDAC1 Q13547 1/20 0.35
TP53 P04637 1/20 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
SCHEMBL29802955 1.00 TMPRSS2 (0.45) TMPRSS2ITGB3ITGA2BMAPTTRPV1
SCHEMBL24671334 0.95 TMPRSS2 (0.43) TMPRSS2ITGB3ITGA2BMAPTNAMPT
SCHEMBL29802915 0.89 TMPRSS2 (0.49) TMPRSS2ITGB3ITGA2BMAPTNAMPT
SCHEMBL30181059 0.89 TMPRSS2 (0.48) TMPRSS2ITGB3ITGA2BMAPTNAMPT
SCHEMBL30181071 0.89 MAPT (0.37) TMPRSS2MAPTTRPV1NAMPTBTK
SCHEMBL29803214 0.88 TMPRSS2 (0.52) TMPRSS2ITGB3ITGA2BMAPTTRPV1
SCHEMBL24891766 0.87 TMPRSS2 (0.47) TMPRSS2MAPTNAMPTHDAC1TP53
SCHEMBL24668998 0.86 TMPRSS2 (0.42) TMPRSS2ITGB3ITGA2BNAMPTJAK2
SCHEMBL29803078 0.86 TMPRSS2 (0.42) TMPRSS2ITGB3ITGA2BNAMPTJAK2
SCHEMBL24669387 0.86 TMPRSS2 (0.45) TMPRSS2MAPTNAMPTBTK

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-2022192162-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2022-09-15 WO disclosed
WO-2022192162-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2022-09-15 WO disclosed