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SCHEMBL24670950

SCHEMBL24670950

CC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)N1CC=C(c2ccc(C(=O)Nc3ccc(N4CCN(C(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC4)cn3)cc2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 7/20 0.36
▸ NAMPT P43490 1/20 0.35
▸ F10 P00742 5/20 0.34
▸ CDK9 P50750 2/20 0.34
▸ CCNT1 O60563 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ SCN9A Q15858 1/20 0.33

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
SCHEMBL24671394 1.00 WNT3A (0.36) WNT3ANAMPTF10CDK9CCNT1
SCHEMBL29803578 0.90 NAMPT (0.45) NAMPTCDK9CCNT1JAK1
SCHEMBL24671433 0.90 NAMPT (0.45) NAMPTCDK9CCNT1JAK1
SCHEMBL24669497 0.87 CDK9 (0.35) WNT3ANAMPTCDK9CCNT1JAK1
SCHEMBL24669498 0.87 CDK9 (0.35) WNT3ANAMPTCDK9CCNT1JAK1
SCHEMBL24670970 0.87 CDK9 (0.37) CDK9CCNT1JAK1SCN9A
SCHEMBL29803589 0.87 CDK9 (0.37) CDK9CCNT1JAK1SCN9A
SCHEMBL24670962 0.87 CDK9 (0.37) CDK9CCNT1JAK1SCN9A
SCHEMBL24671578 0.85 WNT3A (0.47) WNT3ACDK9JAK1SCN9A
SCHEMBL24669635 0.85 GRM1 (0.37) NAMPTCDK9CCNT1JAK1SCN9A

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 2 patents. 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
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