SCHEMBL24670901

SCHEMBL24670901

Cc1cc(C2=CCN(C(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC2)ccc1C(=O)Nc1ccc(C2=CCN(C(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC2)c(F)c1C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.36
SOS1 Q07889 1/20 0.35
WDR5 P61964 5/20 0.34
PRMT5 O14744 2/20 0.33
WDR77 Q9BQA1 2/20 0.33
CDK9 P50750 3/20 0.32
CCNT1 O60563 1/20 0.32
BTK Q06187 1/20 0.32
JAK1 P23458 1/20 0.32
PDK4 Q16654 1/20 0.31
SCN9A Q15858 1/20 0.31
CDK7 P50613 1/20 0.31
CDK13 Q14004 1/20 0.31
CDK12 Q9NYV4 1/20 0.31
GRM5 P41594 2/20 0.31
GRM1 Q13255 2/20 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
SCHEMBL29803183 1.00 NAMPT (0.36) NAMPTSOS1WDR5PRMT5WDR77
SCHEMBL24670898 1.00 NAMPT (0.36) NAMPTSOS1WDR5PRMT5WDR77
SCHEMBL24670954 0.95 NAMPT (0.36) NAMPTSOS1WDR5PRMT5WDR77
SCHEMBL29803260 0.95 NAMPT (0.36) NAMPTSOS1WDR5PRMT5WDR77
SCHEMBL24670323 0.95 NAMPT (0.36) NAMPTSOS1WDR5PRMT5WDR77
SCHEMBL29803536 0.90 NAMPT (0.40) NAMPTSOS1PRMT5WDR77CDK7
SCHEMBL29803446 0.88 NAMPT (0.40) NAMPTSOS1WDR5PRMT5WDR77
SCHEMBL24671356 0.88 NAMPT (0.40) NAMPTSOS1WDR5PRMT5WDR77
SCHEMBL24671289 0.88 NAMPT (0.40) NAMPTSOS1WDR5PRMT5WDR77
SCHEMBL24670839 0.87 WDR5 (0.35) NAMPTWDR5CDK9CCNT1BTK

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