SCHEMBL29437405

SCHEMBL29437405

CCOC(C#Cc1cnc(Cl)nc1NC(CNC(=O)OC(C)(C)C)CC(C)C)OCC

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.43
STK17A Q9UEE5 1/20 0.43
BRD4 O60885 1/20 0.34
AAK1 Q2M2I8 8/20 0.33
SYK P43405 3/20 0.32
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
JAK3 P52333 1/20 0.31
BTK Q06187 1/20 0.31
CAPN1 P07384 1/20 0.30
BACE1 P56817 2/20 0.30
CTSD P07339 1/20 0.30
BACE2 Q9Y5Z0 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
SCHEMBL15249218 1.00 STK17B (0.43) STK17BSTK17ABRD4AAK1SYK
SCHEMBL2722821 1.00 STK17B (0.43) STK17BSTK17ABRD4AAK1SYK
SCHEMBL15724549 0.89 STK17B (0.44) STK17BSTK17ABRD4AAK1SYK
SCHEMBL17595889 0.88 STK17B (0.31) STK17BSTK17A
SCHEMBL18495143 0.87 STK17B (0.43) STK17BSTK17ABRD4AAK1SYK
SCHEMBL2723400 0.87 STK17B (0.43) STK17BSTK17ABRD4AAK1SYK
SCHEMBL15238242 0.87 STK17B (0.43) STK17BSTK17ABRD4AAK1SYK
SCHEMBL2726114 0.86 STK17B (0.41) STK17BSTK17AAAK1SYKCTSS
SCHEMBL20512302 0.86 STK17B (0.41) STK17BSTK17AAAK1SYKCTSS
SCHEMBL15238303 0.86 STK17B (0.41) STK17BSTK17AAAK1SYKCTSS

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-108283644-B Transient protection of normal cells during chemotherapy G1治疗公司 2022-03-18 CN disclosed