SCHEMBL3789179

SCHEMBL3789179

COc1ccc(-c2nnc3nc(NCc4ccc(F)cc4)nc(N4CCC(NCc5ccc(F)cc5)CC4)c3n2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 3/20 0.42
DNMT3A Q9Y6K1 2/20 0.42
CNR2 P34972 2/20 0.42
TLR9 Q9NR96 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
MAPT P10636 3/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
POLB P06746 1/20 0.39
SUV39H2 Q9H5I1 2/20 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
SCHEMBL3711457 0.92 EHMT2 (0.41) EHMT2DNMT3ACNR2TLR9TLR7
SCHEMBL3788619 0.88 HRH4 (0.45) EHMT2DNMT3ACNR2TLR9TLR7
SCHEMBL3791449 0.87 PDE10A (0.49) CNR2MAPTKMT2ASMN1; SMN2LMNA
SCHEMBL3702927 0.87 TLR7 (0.45) EHMT2DNMT3ACNR2TLR9TLR7
SCHEMBL3778691 0.87 TLR9 (0.45) EHMT2DNMT3ACNR2TLR9TLR7
SCHEMBL3785017 0.87 TLR9 (0.49) EHMT2DNMT3ACNR2TLR9TLR7
SCHEMBL3787643 0.86 TLR9 (0.55) EHMT2DNMT3ACNR2TLR9TLR7
SCHEMBL3783454 0.86 ACHE (0.47) EHMT2DNMT3ATLR9TLR7KMT2A
SCHEMBL3786031 0.86 CNR2 (0.42) EHMT2DNMT3ACNR2TLR9TLR7
SCHEMBL13285966 0.84 TSHR (0.46) CNR2TLR7MAPTSMN1; SMN2MAPK1

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