SCHEMBL24891727

SCHEMBL24891727

C=C(CCC(=O)Nc1ccc(CNC(=N)N)cc1)C(=O)Nc1ccc(C2=CCN(C(=N)N)CC2)nn1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 5/20 0.34
CDK13 Q14004 1/20 0.33
CDK12 Q9NYV4 1/20 0.33
TMPRSS2 O15393 1/20 0.32
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
NAMPT P43490 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL30180918 0.84 TMPRSS2 (0.40) TMPRSS2NAMPT
SCHEMBL30180922 0.84 WNT3A (0.34) WNT3ATP53MAPTNAMPT
SCHEMBL30180862 0.84 WNT3A (0.33) WNT3ACDK13CDK12TMPRSS2TP53
SCHEMBL24891674 0.84 WNT3A (0.34) WNT3ATP53MAPTNAMPT
SCHEMBL24891721 0.79 NAMPT (0.31) WNT3ATP53MAPTNAMPT
SCHEMBL24892079 0.78 WNT3A (0.39) WNT3ACDK13CDK12TMPRSS2NAMPT
SCHEMBL30180901 0.73 WNT3A (0.38) WNT3ACDK13CDK12TP53MAPT
SCHEMBL24891824 0.73 WNT3A (0.38) WNT3ACDK13CDK12TP53MAPT
SCHEMBL24671002 0.72 F2 (0.38) WNT3ATMPRSS2TP53MAPTNAMPT
SCHEMBL30180909 0.72 TMPRSS2 (0.39) WNT3ATMPRSS2NAMPT

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