SCHEMBL24670288

SCHEMBL24670288

CC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)N1CC=C(c2ccc(C(=O)Nc3cc(F)c(C4=CCN(C(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC4)c(F)c3)cc2F)CC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.37
SCN9A Q15858 1/20 0.36
PDK4 Q16654 1/20 0.35
CDK9 P50750 5/20 0.34
WDR5 P61964 2/20 0.33
JAK1 P23458 1/20 0.33
GRM5 P41594 4/20 0.32
GRM1 Q13255 4/20 0.32
CCNT1 O60563 3/20 0.32
MAPT P10636 2/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL24670858 1.00 NAMPT (0.37) NAMPTSCN9APDK4CDK9WDR5
SCHEMBL29803672 0.95 NAMPT (0.35) NAMPTSCN9APDK4CDK9WDR5
SCHEMBL24670872 0.95 NAMPT (0.35) NAMPTSCN9APDK4CDK9WDR5
SCHEMBL24670282 0.95 NAMPT (0.35) NAMPTSCN9APDK4CDK9WDR5
SCHEMBL29803193 0.94 NAMPT (0.40) NAMPTSCN9APDK4CDK9WDR5
SCHEMBL24669446 0.91 NAMPT (0.46) NAMPTMAPT
SCHEMBL24669451 0.91 NAMPT (0.46) NAMPTMAPT
SCHEMBL24669465 0.90 NAMPT (0.38) NAMPTSCN9APDK4WDR5JAK1
SCHEMBL24670758 0.90 NAMPT (0.38) NAMPTSCN9APDK4CDK9WDR5
SCHEMBL24670759 0.90 NAMPT (0.38) NAMPTSCN9APDK4CDK9WDR5

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