SCHEMBL30833715

SCHEMBL30833715

NS(=O)(=O)Cc1ccccc1Nc1nc(Nc2ccc3cnn(CCO)c3c2)ncc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.46
ALK Q9UM73 6/20 0.43
JAK3 P52333 7/20 0.43
CDK2 P24941 5/20 0.43
JAK2 O60674 4/20 0.43
CDK7 P50613 3/20 0.43
CDK9 P50750 3/20 0.43
CDC7 O00311 2/20 0.43
DAPK3 O43293 2/20 0.43
ROCK2 O75116 2/20 0.43
PRKD3 O94806 2/20 0.43
MAP4K4 O95819 2/20 0.43
PAK4 O96013 2/20 0.43
PRKACA P17612 2/20 0.43
CSNK1A1 P48729 2/20 0.43
CLK2 P49760 2/20 0.43
GSK3A P49840 2/20 0.43
GSK3B P49841 2/20 0.43
RPS6KA3 P51812 2/20 0.43
PRKX P51817 2/20 0.43

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
SCHEMBL30833758 0.86 SYK (0.46) SYKALKJAK3CDK2JAK2
SCHEMBL30833660 0.85 ALK (0.43) SYKALKJAK3CDK2JAK2
SCHEMBL29190536 0.85 ALK (0.49) SYKALKJAK3CDK2JAK2
SCHEMBL30833734 0.79 ALK (0.49) SYKALKJAK3CDK2JAK2
SCHEMBL30833742 0.79 IGF1R (0.43) SYKALKJAK3CDK2JAK2
SCHEMBL30833786 0.78 EGFR (0.48) SYKALKJAK3CDK2JAK2
SCHEMBL30833647 0.78 ALK (0.46) SYKALKJAK3CDK2JAK2
SCHEMBL30833667 0.77 KDR (0.48) JAK3CDK2JAK2CDK7CDK9
SCHEMBL30833691 0.76 ALK (0.44) SYKALKJAK3CDK2JAK2
SCHEMBL29190525 0.74 ALK (0.68) SYKALKJAK3CDK2JAK2

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-113896744-B Selective EGFR inhibitor 成都先导药物开发股份有限公司 2024-04-16 CN disclosed