SCHEMBL3786017

SCHEMBL3786017

COc1ccc(-c2nnc3nc(NCc4ccccc4)ncc3n2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
PDGFRB P09619 2/20 0.49
PDGFRA P16234 2/20 0.49
CSNK1D P48730 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
NR1H4 Q96RI1 1/20 0.45
BRD4 O60885 1/20 0.45
LMNA P02545 3/20 0.44
KDM4E B2RXH2 3/20 0.43
HPGD P15428 3/20 0.43
ALDH1A1 P00352 2/20 0.43
EGFR P00533 2/20 0.43
HTT P42858 1/20 0.43
HDAC1 Q13547 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 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
SCHEMBL3779716 0.89 CNR2 (0.48) MAPTPDGFRBPDGFRAKMT2AMEN1
SCHEMBL3783305 0.81 MEN1 (0.49) MAPTKMT2AMEN1LMNAKDM4E
SCHEMBL3780681 0.79 MAPT (0.50) MAPTPDGFRBPDGFRACSNK1DNR1H4
SCHEMBL3787718 0.74 MEN1 (0.46) MAPTKMT2AMEN1LMNAKDM4E
SCHEMBL3707465 0.74 TLR7 (0.51) MAPTCSNK1DLMNA
SCHEMBL3713005 0.73 PDE10A (0.48) MAPTCSNK1DKMT2AMEN1LMNA
SCHEMBL5456792 0.72 NOS1 (0.60) MAPTPDGFRBPDGFRACSNK1DHDAC1
SCHEMBL3788169 0.72 MAPT (0.48) MAPTPDGFRBPDGFRACSNK1DKMT2A
SCHEMBL5315492 0.71 NCF1 (0.53) MAPTPDGFRBPDGFRACSNK1DKMT2A
SCHEMBL13286377 0.70 CNR2 (0.51) MAPTKMT2AMEN1LMNAKDM4E

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