Sugi Predict

Sugi Predict / Compounds / SCHEMBL24671433

SCHEMBL24671433

SCHEMBL24671433

CC(C)(C)OC(=O)/N=C(/NC(=O)OC(C)(C)C)N1CC=C(c2ccc(NC(=O)c3ccc(C4=CCN(/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC4)c(F)c3)nc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 13/20 0.45
▸ CDK9 P50750 5/20 0.37
▸ CCNT1 O60563 2/20 0.34
▸ JAK1 P23458 1/20 0.34

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
SCHEMBL29803578 1.00 NAMPT (0.45) NAMPTCDK9CCNT1JAK1
SCHEMBL24671394 0.90 WNT3A (0.36) NAMPTCDK9CCNT1JAK1
SCHEMBL24670950 0.90 WNT3A (0.36) NAMPTCDK9CCNT1JAK1
SCHEMBL24669498 0.90 CDK9 (0.35) NAMPTCDK9CCNT1JAK1
SCHEMBL24669497 0.90 CDK9 (0.35) NAMPTCDK9CCNT1JAK1
SCHEMBL24669446 0.90 NAMPT (0.46) NAMPT
SCHEMBL24669451 0.90 NAMPT (0.46) NAMPT
SCHEMBL24670970 0.89 CDK9 (0.37) CDK9CCNT1JAK1
SCHEMBL24670962 0.89 CDK9 (0.37) CDK9CCNT1JAK1
SCHEMBL29803589 0.89 CDK9 (0.37) CDK9CCNT1JAK1

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