SCHEMBL24670232

SCHEMBL24670232

CS(=O)(=O)n1ccc2ncncc21

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 4/20 0.43
HTR6 P50406 2/20 0.41
RPS6KA5 O75582 6/20 0.40
RPS6KA4 O75676 3/20 0.40
MET P08581 5/20 0.38
RAPGEF4 Q8WZA2 1/20 0.35
EGFR P00533 2/20 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
SCHEMBL2245552 0.79 L3MBTL1 (0.52) HTR6METRAPGEF4
SCHEMBL17194137 0.74 MET (0.64) PIK3C3HTR6RPS6KA5METRAPGEF4
SCHEMBL31428856 0.74 MET (0.64) PIK3C3HTR6RPS6KA5METRAPGEF4
SCHEMBL16926663 0.73 PIK3C3 (0.50) PIK3C3HTR6METRAPGEF4
SCHEMBL24668966 0.72 ALDH3A1 (0.39) PIK3C3HTR6RAPGEF4
SCHEMBL24670230 0.72 HTR6 (0.41) HTR6RAPGEF4
SCHEMBL256382 0.72 RPS6KA5 (0.45) RPS6KA5RPS6KA4EGFR
SCHEMBL24668538 0.70 HDAC6 (0.38)
SCHEMBL24670233 0.70 HTR6 (0.60) PIK3C3HTR6RAPGEF4
SCHEMBL5738350 0.70 RPS6KA5 (0.46) RPS6KA5RPS6KA4EGFR

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-2022187693-A1 COVALENT CDK2-BINDING COMPOUNDS FOR THERAPEUTIC PURPOSES UMBRA THERAPEUTICS INC. (US) 2022-09-09 WO disclosed