SCHEMBL30180901

SCHEMBL30180901

N=C(N)NCc1ccc(NC(=O)C23CCC(C(=O)Nc4cnc(C5=CCN(C(=N)N)CC5)cn4)(CC2)CC3)cc1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 4/20 0.38
NAMPT P43490 13/20 0.35
CDK13 Q14004 1/20 0.33
CDK12 Q9NYV4 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL24891824 1.00 WNT3A (0.38) WNT3ANAMPTCDK13CDK12TRPV1
SCHEMBL24892076 0.95 WNT3A (0.36) WNT3ANAMPTCDK13CDK12TRPV1
SCHEMBL24891823 0.90 WNT3A (0.37) WNT3ANAMPTCDK13CDK12TRPV1
SCHEMBL30180909 0.89 TMPRSS2 (0.39) WNT3ANAMPT
SCHEMBL24892079 0.88 WNT3A (0.39) WNT3ANAMPTCDK13CDK12
SCHEMBL30180922 0.88 WNT3A (0.34) WNT3ANAMPTTP53MAPT
SCHEMBL24891674 0.88 WNT3A (0.34) WNT3ANAMPTTP53MAPT
SCHEMBL30180876 0.87 NAMPT (0.39) WNT3ANAMPT
SCHEMBL24891765 0.87 NAMPT (0.39) WNT3ANAMPT
SCHEMBL24891740 0.86 NPC1 (0.41) NAMPTMAPT

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