SCHEMBL24671375

SCHEMBL24671375

CC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)N1CC=C(c2ccc(C(=O)Nc3ccc(C4=CCN(C(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC4)c(F)c3F)cc2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 4/20 0.36
SCN9A Q15858 1/20 0.36
NAMPT P43490 1/20 0.35
CDK9 P50750 4/20 0.34
CCNT1 O60563 2/20 0.34
GRM5 P41594 5/20 0.34
GRM1 Q13255 5/20 0.34
JAK1 P23458 1/20 0.33
PDK4 Q16654 1/20 0.33
BTK Q06187 2/20 0.32
TNF P01375 1/20 0.32

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
SCHEMBL24671558 1.00 WDR5 (0.36) WDR5SCN9ANAMPTCDK9CCNT1
SCHEMBL29803870 0.94 WDR5 (0.35) WDR5SCN9ANAMPTCDK9CCNT1
SCHEMBL24670837 0.94 WDR5 (0.35) WDR5SCN9ANAMPTCDK9CCNT1
SCHEMBL24670839 0.94 WDR5 (0.35) WDR5SCN9ANAMPTCDK9CCNT1
SCHEMBL29803305 0.93 WDR5 (0.36) WDR5SCN9ANAMPTCDK9CCNT1
SCHEMBL24671012 0.93 WDR5 (0.36) WDR5SCN9ANAMPTCDK9CCNT1
SCHEMBL24670923 0.93 WDR5 (0.36) WDR5SCN9ANAMPTCDK9CCNT1
SCHEMBL24670834 0.91 WDR5 (0.38) WDR5SCN9ANAMPTCDK9CCNT1
SCHEMBL24670835 0.91 WDR5 (0.38) WDR5SCN9ANAMPTCDK9CCNT1
SCHEMBL29803306 0.91 WDR5 (0.38) WDR5SCN9ANAMPTCDK9CCNT1

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