SCHEMBL22845606

SCHEMBL22845606

O=C(O)COc1ccc(-c2cnc3ccccn23)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.50
MIF P14174 1/20 0.50
KDR P35968 3/20 0.49
PIK3CA P42336 1/20 0.45
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
IKBKE Q14164 1/20 0.42
TBK1 Q9UHD2 1/20 0.42
KIT P10721 2/20 0.42
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
JAK3 P52333 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
FYN P06241 2/20 0.38
PKM P14618 1/20 0.38
PLK1 P53350 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37

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
SCHEMBL22845611 0.85 ALDH1A1 (0.46) FLT3MIFKDRPIK3CAPRMT5
SCHEMBL23051045 0.85 FLT3 (0.56) FLT3MIFKDRPIK3CAPRMT5
SCHEMBL22845607 0.75 PKM (0.42) FLT3MIFKDRPIK3CAIKBKE
SCHEMBL22845640 0.74 CDK8 (0.49) KDR
SCHEMBL22845613 0.74 PLK1 (0.39) FLT3MIFKDRPIK3CAIKBKE
SCHEMBL2650330 0.73 FLT3 (0.74) FLT3MIFKDRPIK3CAKIT
SCHEMBL22851709 0.71 FLT3 (0.71) FLT3MIFKDRPIK3CAPRMT5
SCHEMBL23051047 0.70 FLT3 (0.71) FLT3MIFKDRPIK3CAFYN
SCHEMBL14668453 0.69 FLT3 (0.60) FLT3MIFKDRPIK3CAPRMT5
SCHEMBL22044029 0.68 IKBKE (0.55) FLT3MIFIKBKETBK1KIT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020263187-A1 COMPOUNDS FOR TREATMENT OF EYE DISORDERS SINOPSEE THERAPEUTICS (SG) 2020-12-30 WO disclosed
WO-2020263186-A1 COMPOUNDS FOR TREATMENT OF CANCER SINOPSEE THERAPEUTICS (SG) 2020-12-30 WO disclosed