SCHEMBL24671313

SCHEMBL24671313

Cc1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)c(F)cc1NC(=O)c1ccc(C2=CCB(C#N)CC2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 6/20 0.43
NAMPT P43490 1/20 0.40
PDK4 Q16654 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
JAK1 P23458 1/20 0.38
CDK7 P50613 1/20 0.38
CDK13 Q14004 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
CDK9 P50750 3/20 0.37
CCNT1 O60563 1/20 0.37
GRM5 P41594 4/20 0.37
GRM1 Q13255 4/20 0.37
SOS1 Q07889 1/20 0.36
ELANE P08246 1/20 0.35

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
SCHEMBL24671112 0.90 WDR5 (0.49) WDR5NAMPTPDK4TLR7JAK1
SCHEMBL24670973 0.85 NAMPT (0.43) WDR5NAMPTPDK4TLR7JAK1
SCHEMBL24670313 0.82 NAMPT (0.49) WDR5NAMPTPDK4JAK1CDK7
SCHEMBL29803388 0.81 WDR5 (0.53) WDR5NAMPTPDK4JAK1CDK9
SCHEMBL24670170 0.81 WDR5 (0.53) WDR5NAMPTPDK4JAK1CDK9
SCHEMBL29803508 0.80 NAMPT (0.52) WDR5NAMPTPDK4TLR7JAK1
SCHEMBL24670609 0.80 NAMPT (0.52) WDR5NAMPTPDK4TLR7JAK1
SCHEMBL24669494 0.78 SCN9A (0.41) WDR5NAMPTPDK4JAK1CDK9
SCHEMBL24670342 0.78 CDK9 (0.47) WDR5NAMPTPDK4TLR7JAK1
SCHEMBL29803675 0.78 CDK9 (0.47) WDR5NAMPTPDK4TLR7JAK1

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