SCHEMBL28600232

SCHEMBL28600232

CC(C)(C)OC(=O)n1cc(-c2ccnnc2)c2cc(Br)cnc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.38
FLT3 P36888 1/20 0.35
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
PIM1 P11309 1/20 0.33
MARK3 P27448 1/20 0.33
MAP4K2 Q12851 1/20 0.33
CAMK2B Q13554 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
ELANE P08246 1/20 0.32
RET P07949 2/20 0.32
PTPN11 Q06124 2/20 0.32
HTR6 P50406 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GSK3B P49841 2/20 0.31
CCNB2 O95067 1/20 0.31
CDK1 P06493 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 0.90 PTPN11 (0.40) GPR119FLT3PIK3R1PIK3CAPIM1
SCHEMBL28600236 0.86 AAK1 (0.36) GPR119FLT3PIK3R1PIK3CAPIM1
SCHEMBL30068780 0.86 ELANE (0.47) GPR119PIM1MARK3MAP4K2CAMK2B
SCHEMBL25259725 0.86 ELANE (0.47) GPR119PIM1MARK3MAP4K2CAMK2B
SCHEMBL28605059 0.81 BRD4 (0.38) GPR119PIK3R1PIK3CAPIM1MARK3
SCHEMBL28598143 0.81 PIK3R1 (0.33) FLT3PIK3R1PIK3CAPIM1MARK3
SCHEMBL22922572 0.81 CYP1A2 (0.37) GPR119FLT3USP30
SCHEMBL29556836 0.81 GPR119 (0.37) GPR119PIK3R1PIK3CAELANERET
SCHEMBL28559315 0.81 GPR119 (0.37) GPR119PIK3R1PIK3CAELANERET
SCHEMBL19411567 0.78 AAK1 (0.38) PIK3R1PIK3CAPIM1MARK3MAP4K2

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