SCHEMBL24670906

SCHEMBL24670906

Cc1cc(C2=CCN(/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC2)cc(F)c1C(=O)NC(C)C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.35
SOS1 Q07889 1/20 0.34
CDK7 P50613 1/20 0.33
CDK13 Q14004 1/20 0.33
CDK12 Q9NYV4 1/20 0.33
PTGER4 P35408 1/20 0.32
GRM5 P41594 6/20 0.32
GRM1 Q13255 6/20 0.32
CCR1 P32246 1/20 0.32
TLR7 Q9NYK1 1/20 0.31
CDK9 P50750 1/20 0.31
PDK4 Q16654 1/20 0.31
CYP11B2 P19099 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
WDR5 P61964 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL24671140 0.86 NAMPT (0.39) NAMPTSOS1CDK7CDK13CDK12
SCHEMBL29803817 0.85 NAMPT (0.38) NAMPTCDK9PDK4WDR5
SCHEMBL24670909 0.85 NAMPT (0.38) NAMPTCDK9PDK4WDR5
SCHEMBL24670827 0.85 NAMPT (0.38) NAMPTCDK9PDK4WDR5
SCHEMBL24670320 0.85 NAMPT (0.39) NAMPTSOS1CDK7CDK13CDK12
SCHEMBL24670022 0.84 NAMPT (0.42) NAMPTSOS1CDK7CDK13CDK12
SCHEMBL29803756 0.82 NAMPT (0.39) NAMPTCDK9PDK4
SCHEMBL24670284 0.81 SCN9A (0.38) NAMPTCDK7CDK13CDK12PTGER4
SCHEMBL24670115 0.81 NAMPT (0.43) NAMPTSOS1CDK7CDK13CDK12
SCHEMBL24667840 0.79 CDK9 (0.41) NAMPTSOS1CDK7CDK13CDK12

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