SCHEMBL3713005

SCHEMBL3713005

COc1ccc(-c2nnc3nc(NCc4ccccc4)nc(N4CCOCC4)c3n2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.48
PIK3CB P42338 4/20 0.46
HTT P42858 2/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
GAK O14976 3/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.45
ALOX15 P16050 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
HIF1A Q16665 1/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
JAK2 O60674 1/20 0.43

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
SCHEMBL3791449 0.91 PDE10A (0.49) PDE10ATSHRGAKMAPTMEN1
SCHEMBL3707465 0.90 TLR7 (0.51) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL3779641 0.84 HTT (0.50) PIK3CBHTTPKMTSHRCRHBP
SCHEMBL13285966 0.84 TSHR (0.46) TSHRMAPTALDH1A1HPGDGAA
SCHEMBL3778691 0.84 TLR9 (0.45) PDE10AHTTGAKMAPTMEN1
SCHEMBL3788619 0.81 HRH4 (0.45) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL3780575 0.81 MTOR (0.51) PIK3CBHTTTSHRMAPTPIK3CA
SCHEMBL3702927 0.81 TLR7 (0.45) PDE10AHTTMAPTMEN1KMT2A
SCHEMBL3785017 0.80 TLR9 (0.49) HTTMAPTMEN1KMT2AALDH1A1
SCHEMBL3786031 0.79 CNR2 (0.42) PDE10AMAPTMEN1KMT2AALDH1A1

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 3 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 claimed
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