SCHEMBL23048984

SCHEMBL23048984

Cc1cn(-c2ccc3nc(-c4ccc(C)c(C#Cc5cnc(/C=C\C=N)[nH]5)c4)[nH]c3c2)cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.34
MAOA P21397 4/20 0.34
MAOB P27338 4/20 0.34
TOP1 P11387 3/20 0.31
TOP2A P11388 3/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPBWR1 P48145 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
SLCO2B1 O94956 1/20 0.31
GLA P06280 1/20 0.31
MAPT P10636 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
BCL2L1 Q07817 1/20 0.31
SLCO1B3 Q9NPD5 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL15443267 0.74 ABL1 (0.51) DDR1
SCHEMBL15442436 0.72 MAOA (0.43) FLT3MAOAMAOBTOP1TOP2A
SCHEMBL23048987 0.72 FLT3 (0.34) FLT3MAOAMAOBTOP1TOP2A
SCHEMBL20144339 0.70 HDAC6 (0.46) SMN1; SMN2ALDH1A1MEN1KMT2ASLCO2B1
SCHEMBL15443081 0.67 ABL1 (0.51) DDR1
SCHEMBL20144337 0.67 NPBWR1 (0.44) FLT3MAOAMAOBSMN1; SMN2ALDH1A1
SCHEMBL15445593 0.65 MAOA (0.41) FLT3MAOAMAOBSMN1; SMN2ALDH1A1
SCHEMBL16283150 0.59 NPC1 (0.44) FLT3MAOAMAOBSMN1; SMN2ALDH1A1
SCHEMBL25343812 0.56 MAOA (0.45) MAOAMAOBALDH1A1
SCHEMBL20982767 0.55 CBFB (0.69) MAOAMAOBSMN1; SMN2ALDH1A1MEN1

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
EP-3186247-B1 PROTEIN KINASE INHIBITORS ASTAR BIOTECH LLC (US) 2021-03-03 EP disclosed