SCHEMBL24670609

SCHEMBL24670609

CC(C)(C)OC(=O)N1CC=C(c2ccc(NC(=O)c3ccc(C4=CCN(C(=O)OC(C)(C)C)CC4)cc3F)c(F)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.52
WDR5 P61964 2/20 0.46
GRM1 Q13255 7/20 0.46
GRM5 P41594 6/20 0.46
CDK7 P50613 1/20 0.46
CDK13 Q14004 1/20 0.46
CDK12 Q9NYV4 1/20 0.46
CDK9 P50750 3/20 0.45
CCNT1 O60563 1/20 0.45
TLR7 Q9NYK1 1/20 0.44
PDK4 Q16654 1/20 0.44
SOS1 Q07889 1/20 0.43
JAK1 P23458 1/20 0.43
USP30 Q70CQ3 1/20 0.42
WNT3A P56704 1/20 0.41

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
SCHEMBL29803508 1.00 NAMPT (0.52) NAMPTWDR5GRM1GRM5CDK7
SCHEMBL29271655 0.89 NAMPT (0.52) NAMPTGRM1GRM5CDK7CDK13
SCHEMBL12479794 0.89 NAMPT (0.55) NAMPTGRM1GRM5CDK7CDK13
SCHEMBL24671112 0.88 WDR5 (0.49) NAMPTWDR5GRM1GRM5CDK7
SCHEMBL24667826 0.86 NAMPT (0.49) NAMPTWDR5GRM1GRM5CDK7
SCHEMBL29803404 0.86 NAMPT (0.49) NAMPTWDR5GRM1GRM5CDK7
SCHEMBL24669471 0.86 NAMPT (0.53) NAMPTWDR5GRM1GRM5CDK7
SCHEMBL31612866 0.86 NAMPT (0.53) NAMPTGRM1GRM5CDK7CDK13
SCHEMBL15380388 0.86 NAMPT (0.53) NAMPTGRM1GRM5CDK7CDK13
SCHEMBL24669557 0.86 NAMPT (0.51) NAMPTWDR5GRM1GRM5CDK7

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