SCHEMBL3789005

SCHEMBL3789005

COc1ccc(C2=Nc3cnc(NCc4ccc(F)cc4)nc3NN2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
MAPK1 P28482 4/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 3/20 0.46
MEN1 O00255 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
CNR2 P34972 1/20 0.44
POLB P06746 2/20 0.43
TP53 P04637 2/20 0.42
DYRK1A Q13627 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
EGFR P00533 1/20 0.40
KIT P10721 1/20 0.39

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
SCHEMBL3788169 0.90 MAPT (0.48) MAPTKMT2ASMN1; SMN2LMNAHPGD
SCHEMBL3783206 0.86 KDM4E (0.42) MAPK1KMT2AGAAMEN1HPGD
SCHEMBL3785754 0.81 PTGS2 (0.46) MAPTMAPK1KMT2AGAASMN1; SMN2
SCHEMBL3784769 0.78 PTGS2 (0.44) MAPK1KMT2AGAAMEN1HPGD
SCHEMBL3778909 0.78 ALDH1A1 (0.44) MAPK1KMT2ALMNAMEN1HPGD
SCHEMBL3781294 0.77 PTGS2 (0.46)
SCHEMBL3783814 0.74 MERTK (0.45)
SCHEMBL3779716 0.73 CNR2 (0.48) MAPTMAPK1KMT2AGAASMN1; SMN2
SCHEMBL3791144 0.71 CYP1A2 (0.40) MAPTMAPK1KMT2AGAALMNA
SCHEMBL3706406 0.70 KDM4E (0.41) MAPK1KMT2AGAAMEN1HPGD

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-2010083645-A1 PYRIMIDO[5,4-e][1,2,4]TRIAZINES AND USES THEREOF SHANGHAI TARGETDRUG CO., LTD (CN) 2010-07-29 WO disclosed
WO-2010083645-A1 PYRIMIDO[5,4-e][1,2,4]TRIAZINES AND USES THEREOF SHANGHAI TARGETDRUG CO., LTD (CN) 2010-07-29 WO disclosed