SCHEMBL24671256

SCHEMBL24671256

N=C(N)N1CC=C(c2ccc(C(=O)Nc3ccc4c(c3)CN(C(=N)N)C4)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 8/20 0.67
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
NAMPT P43490 11/20 0.48

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
SCHEMBL29802896 1.00 TMPRSS2 (0.67) TMPRSS2ITGB3ITGA2BNAMPT
SCHEMBL24891902 0.99 TMPRSS2 (0.66) TMPRSS2ITGB3ITGA2BNAMPT
SCHEMBL30180859 0.99 TMPRSS2 (0.66) TMPRSS2ITGB3ITGA2BNAMPT
SCHEMBL29803335 0.95 TMPRSS2 (0.69) TMPRSS2ITGB3ITGA2BNAMPT
SCHEMBL24669403 0.95 TMPRSS2 (0.69) TMPRSS2ITGB3ITGA2BNAMPT
SCHEMBL24670219 0.88 TMPRSS2 (0.58) TMPRSS2NAMPT
SCHEMBL29803093 0.88 TMPRSS2 (0.58) TMPRSS2NAMPT
SCHEMBL24667821 0.88 TMPRSS2 (0.54) TMPRSS2NAMPT
SCHEMBL24670135 0.87 TMPRSS2 (0.59) TMPRSS2ITGB3ITGA2BNAMPT
SCHEMBL29802975 0.87 TMPRSS2 (0.59) TMPRSS2ITGB3ITGA2BNAMPT

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-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