SCHEMBL30595656

SCHEMBL30595656

C[Si](C)(C)CCOCn1ccc2cnc(NC3CCOCC3)cc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 5/20 0.39
CDK2 P24941 5/20 0.39
AOC3 Q16853 2/20 0.37
FYN P06241 3/20 0.36
MAPK14 Q16539 1/20 0.36
MAP3K5 Q99683 1/20 0.36
MAPK1 P28482 4/20 0.35
RPS6KA1 Q15418 3/20 0.35
CDK9 P50750 1/20 0.35
CCNT1 O60563 1/20 0.35
MAPK10 P53779 1/20 0.35
PRKD1 Q15139 1/20 0.34
PRKD2 Q9BZL6 1/20 0.34

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
SCHEMBL24605639 0.78 CCNE1 (0.40) CCNE1CDK2AOC3FYNMAPK14
SCHEMBL29776543 0.78 CCNE1 (0.40) CCNE1CDK2AOC3FYNMAPK14
SCHEMBL29776507 0.77 AOC3 (0.44) CCNE1CDK2AOC3FYNMAPK14
SCHEMBL24605525 0.77 AOC3 (0.44) CCNE1CDK2AOC3FYNMAPK14
SCHEMBL29776513 0.76 CCNE1 (0.35) CCNE1CDK2AOC3FYNMAPK14
SCHEMBL24605483 0.76 CCNE1 (0.35) CCNE1CDK2AOC3FYNMAPK14
SCHEMBL24605472 0.76 MAPK14 (0.41) AOC3FYNMAPK14MAPK1CDK9
SCHEMBL24605509 0.76 MAPK14 (0.38) CCNE1CDK2AOC3MAPK14MAPK1
SCHEMBL29776564 0.76 MAPK14 (0.38) CCNE1CDK2AOC3MAPK14MAPK1
SCHEMBL29776547 0.76 MAPK14 (0.41) AOC3FYNMAPK14MAPK1CDK9

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
CN-116685318-A Heterocyclic compounds and their use for parasitic diseases 细胞基因公司 2023-09-01 CN disclosed