SCHEMBL25287247

SCHEMBL25287247

COC(=O)c1ccc2c(NC(C)CCO)nc(Cl)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A1 P68400 3/20 0.43
▸ CSNK2A2 P19784 1/20 0.41
▸ CSNK2B P67870 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ EGFR P00533 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ TLR7 Q9NYK1 4/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ TLR8 Q9NR97 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL25246682 0.84 CSNK2A1 (0.43) CSNK2A1CSNK2A2CSNK2BALDH1A1KDM4E
SCHEMBL30486949 0.84 CSNK2A1 (0.43) CSNK2A1CSNK2A2CSNK2BALDH1A1KDM4E
SCHEMBL25287893 0.80 CSNK2A1 (0.45) CSNK2A1CSNK2A2CSNK2BALDH1A1KDM4E
SCHEMBL30486964 0.78 MAPT (0.44) CSNK2A1ALDH1A1KDM4EEGFRTLR7
SCHEMBL25290653 0.78 CSNK2A1 (0.43) CSNK2A1CSNK2A2CSNK2BALDH1A1KDM4E
SCHEMBL559538 0.75 CSNK2A1 (0.57) CSNK2A1CSNK2A2CSNK2BALDH1A1KDM4E
SCHEMBL25252210 0.73 CSNK2A1 (0.52) CSNK2A1CSNK2A2CSNK2BALDH1A1KDM4E
SCHEMBL25293867 0.73 CSNK2A1 (0.52) CSNK2A1CSNK2A2CSNK2BALDH1A1KDM4E
SCHEMBL938176 0.71 CSNK2A1 (0.50) CSNK2A1CSNK2A2CSNK2BALDH1A1KDM4E
SCHEMBL20509925 0.70 SOS1 (0.50) EGFR

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-2023126951-A1 INHIBITORS OF AUTOPHAGY-RELATED PROTEIN-PROTEIN INTERACTIONS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2023-07-06 — — WO disclosed
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