SCHEMBL24880893

SCHEMBL24880893

CC(=N)c1ccc(-c2scnc2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VHL P40337 9/20 0.52
KDM4E B2RXH2 3/20 0.34
PKM P14618 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
ELOC Q15369 3/20 0.33
ELOB Q15370 3/20 0.33
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL23880997 0.83 VHL (0.60) VHLKDM4EPKMPIK3CDPIK3CA
SCHEMBL19600685 0.78 VHL (0.54) VHLKDM4EPKMELOCELOB
SCHEMBL19661678 0.77 VHL (0.53) VHLKDM4EPKMELOCELOB
SCHEMBL25473160 0.75 VHL (0.49) VHLKDM4EPKMPIK3CDPIK3CA
SCHEMBL24440459 0.75 VHL (0.51) VHLKDM4EPKMELOCELOB
SCHEMBL23037352 0.74 VHL (0.51) VHLKDM4EPKMELOCELOB
SCHEMBL22130274 0.74 VHL (0.50) VHLKDM4EPKMELOCELOB
SCHEMBL26132897 0.74 VHL (0.61) VHLELOCELOB
SCHEMBL23037321 0.72 ALDH1A1 (0.45) VHLKDM4EELOCELOBP2RX3
SCHEMBL23478765 0.71 VHL (0.48) VHLKDM4EELOCELOBALDH1A1

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-2023280237-A1 SYNTHESIS AND APPLICATION OF PHOSPHATASE DEGRADER 海创药业股份有限公司 2023-01-12 WO disclosed