SCHEMBL29437366

SCHEMBL29437366

CC(C)C(CNC(=O)OC(C)(C)C)Nc1nc(Cl)ncc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.50
STK17A Q9UEE5 1/20 0.50
TRPA1 O75762 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
PCSK9 Q8NBP7 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
IGF1R P08069 1/20 0.35
AAK1 Q2M2I8 5/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPKAPK2 P49137 1/20 0.33
CA4 P22748 1/20 0.33
CA9 Q16790 1/20 0.33
CDK1 P06493 4/20 0.33
CDK2 P24941 4/20 0.33
KDR P35968 4/20 0.33
SYK P43405 1/20 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
SCHEMBL2722846 1.00 STK17B (0.50) STK17BSTK17ATRPA1ABL1BCR
SCHEMBL2722934 0.91 STK17B (0.47) STK17BSTK17ATRPA1ABL1BCR
SCHEMBL18495142 0.91 STK17B (0.47) STK17BSTK17ATRPA1ABL1BCR
SCHEMBL20584280 0.91 STK17B (0.47) STK17BSTK17ATRPA1ABL1BCR
SCHEMBL2722937 0.91 STK17B (0.47) STK17BSTK17ATRPA1ABL1BCR
SCHEMBL15724548 0.89 STK17B (0.52) STK17BSTK17ATRPA1ABL1BCR
SCHEMBL18493721 0.88 STK17B (0.51) STK17BSTK17ATRPA1ABL1BCR
SCHEMBL2724806 0.88 STK17B (0.51) STK17BSTK17ATRPA1ABL1BCR
SCHEMBL2724800 0.88 STK17B (0.51) STK17BSTK17ATRPA1ABL1BCR
SCHEMBL2722858 0.85 STK17B (0.51) STK17BSTK17APCSK9IGF1RAAK1

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