SCHEMBL28600236

SCHEMBL28600236

CC(C)(C)OC(=O)n1cc(-c2ccnc(F)c2)c2cc(Br)cnc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
TBK1 Q9UHD2 1/20 0.34
FLT3 P36888 1/20 0.33
NFATC1 O95644 1/20 0.32
DYRK1A Q13627 1/20 0.32
PIM1 P11309 1/20 0.32
MARK3 P27448 1/20 0.32
MAP4K2 Q12851 1/20 0.32
CAMK2B Q13554 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
MAP4K4 O95819 1/20 0.32
MINK1 Q8N4C8 1/20 0.32
TNIK Q9UKE5 1/20 0.32
HTR6 P50406 1/20 0.32
UCHL1 P09936 1/20 0.32
USP30 Q70CQ3 1/20 0.32
JAK2 O60674 1/20 0.31

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
SCHEMBL28614298 0.87 PTPN11 (0.40) PIK3R1PIK3CAFLT3NFATC1DYRK1A
SCHEMBL28600232 0.86 GPR119 (0.38) PIK3R1PIK3CAFLT3PIM1MARK3
SCHEMBL25259725 0.83 ELANE (0.47) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL30068780 0.83 ELANE (0.47) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL28598143 0.82 PIK3R1 (0.33) AAK1PIK3R1PIK3CAFLT3PIM1
SCHEMBL29556124 0.81 MAP2K4 (0.39) AAK1PIK3R1PIK3CATBK1MAP4K4
SCHEMBL28570718 0.81 MAP2K4 (0.39) AAK1PIK3R1PIK3CATBK1MAP4K4
SCHEMBL27821750 0.80 AAK1 (0.35) AAK1PIK3R1PIK3CAHTR6USP30
SCHEMBL28605059 0.79 BRD4 (0.38) PIK3R1PIK3CADYRK1APIM1MARK3
SCHEMBL22922572 0.78 CYP1A2 (0.37) FLT3USP30GPR119

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-113214247-A Azaindole derivative marrow cell proliferation inhibitor, preparation method and application thereof in pharmacy 复旦大学 2021-08-06 CN disclosed