SCHEMBL3779716

SCHEMBL3779716

COc1ccc(-c2nnc3nc(NCc4ccc(F)cc4)ncc3n2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 4/20 0.48
MEN1 O00255 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 3/20 0.48
GAA P10253 2/20 0.48
HPGD P15428 2/20 0.48
MAPK1 P28482 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
POLB P06746 2/20 0.47
EGFR P00533 1/20 0.44
TP53 P04637 2/20 0.44
DYRK1A Q13627 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
VNN1 O95497 1/20 0.41

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
SCHEMBL3786017 0.89 MAPT (0.51) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL3787718 0.87 MEN1 (0.46) KMT2AMAPTMEN1LMNAGAA
SCHEMBL13286377 0.81 CNR2 (0.51) CNR2KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL3783305 0.81 MEN1 (0.49) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL3780333 0.80 CNR2 (0.48) CNR2KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL3781754 0.78 PTGS2 (0.46) KMT2AMAPTMEN1LMNAGAA
SCHEMBL3782842 0.77 ALDH1A1 (0.51) KMT2AMEN1LMNAHPGDMAPK1
SCHEMBL13286144 0.77 PTGS2 (0.47)
SCHEMBL3785011 0.77 PTGS2 (0.45) KMT2AMAPTMEN1LMNAGAA
Ammonia Solution, Strong SCHEMBL3787729 0.75 MAPT (0.46) CNR2KMT2AMAPTMEN1SMN1; SMN2

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