SCHEMBL23180388

SCHEMBL23180388

CCOC(=O)c1cnc(C2CCC(OC(=O)c3cnc(C4=CCCC4)s3)C2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 1/20 0.42
▸ CDC7 O00311 2/20 0.42
▸ DBF4 Q9UBU7 2/20 0.42
▸ JAK2 O60674 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ HSD17B10 Q99714 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CCNE1 P24864 9/20 0.31
▸ CDK2 P24941 9/20 0.31

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
SCHEMBL23180387 0.85 HCRTR2 (0.40) HCRTR2CDC7DBF4JAK2JAK3
SCHEMBL23146178 0.84 CDC7 (0.56) HCRTR2CDC7DBF4JAK2JAK3
SCHEMBL23159723 0.76 HCRTR2 (0.55) HCRTR2CDC7DBF4HSD17B10KDM4E
SCHEMBL15889436 0.74 HCRTR2 (0.51) HCRTR2CDC7DBF4HSD17B10KDM4E
SCHEMBL23180250 0.73 CDC7 (0.43) CDC7DBF4HSD17B10MEN1ALDH1A1
SCHEMBL15896608 0.73 HCRTR2 (0.50) HCRTR2CDC7DBF4HSD17B10KDM4E
SCHEMBL15376175 0.68 HCRTR2 (0.48) HCRTR2CDC7DBF4HSD17B10KDM4E
SCHEMBL31705326 0.68 HCRTR2 (0.48) HCRTR2CDC7DBF4HSD17B10KDM4E
SCHEMBL30908652 0.68 HCRTR2 (0.48) HCRTR2CDC7DBF4HSD17B10HPGD
SCHEMBL31706651 0.68 CDC7 (0.53) HCRTR2CDC7DBF4HSD17B10KDM4E

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-2021062318-A1 THIAZOLE CARBOXAMIDE COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2021-04-01 — — WO disclosed
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