SCHEMBL28385129

SCHEMBL28385129

CC(C)(C)OC(=O)NC1CCC(Nc2nc(Cl)ncc2Br)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.47
STK17B O94768 1/20 0.44
STK17A Q9UEE5 1/20 0.44
MERTK Q12866 1/20 0.43
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
JAK1 P23458 6/20 0.41
JAK2 O60674 2/20 0.41
JAK3 P52333 1/20 0.41
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
SYK P43405 1/20 0.39
KMT2A Q03164 1/20 0.39
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
DRD2 P14416 1/20 0.38
TYK2 P29597 1/20 0.38

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
SCHEMBL29785350 1.00 BTK (0.47) BTKSTK17BSTK17AMERTKCKS1B
SCHEMBL20674042 1.00 BTK (0.47) BTKSTK17BSTK17AMERTKCKS1B
SCHEMBL4256566 0.87 BTK (0.48) BTKSTK17BSTK17AMERTKCKS1B
SCHEMBL4256565 0.87 BTK (0.48) BTKSTK17BSTK17AMERTKCKS1B
SCHEMBL13671985 0.86 STK17B (0.45) BTKSTK17BSTK17AMERTKCKS1B
SCHEMBL4475865 0.86 STK17B (0.45) BTKSTK17BSTK17AMERTKCKS1B
SCHEMBL30125365 0.86 STK17B (0.45) BTKSTK17BSTK17AMERTKCKS1B
SCHEMBL25691681 0.86 STK17B (0.45) BTKSTK17BSTK17AMERTKCKS1B
SCHEMBL4549835 0.85 STK17B (0.43) BTKSTK17BSTK17ACKS1BSKP1
SCHEMBL29437412 0.85 STK17B (0.43) BTKSTK17BSTK17ACKS1BSKP1

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-110914267-A Pyrimidopyridone or pyridopyridone compound and application thereof 江苏奥赛康药业有限公司 2020-03-24 CN disclosed