SCHEMBL6597825

SCHEMBL6597825

O[CH]c1ncc2ccccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
GPR3 P46089 1/20 0.42
EGFR P00533 1/20 0.42
CYP1A2 P05177 4/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
GLA P06280 1/20 0.39
ACHE P22303 1/20 0.39
HTR3A P46098 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
MGAM O43451 2/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
FDPS P14324 1/20 0.35
MAP3K5 Q99683 1/20 0.35
NCF1 P14598 1/20 0.34
NOS2 P35228 1/20 0.34

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
SCHEMBL1784501 0.83 KDM4E (0.45) KDM4EGPR3EGFRCYP1A2ALDH1A1
Formic Acid SCHEMBL7099139 0.82 ERN1 (0.39) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL6600134 0.80 PDGFRB (0.44) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL2008080 0.79 KDM4E (0.42) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL4812818 0.79 CYP1A2 (0.42) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL31511445 0.79 KDM4E (0.42) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL2804480 0.79 KDM4E (0.42) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL27545204 0.79 KDM4E (0.42) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL27910297 0.78 KDM4E (0.41) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL4498563 0.75 PDGFRB (0.56) KDM4EALDH1A1MAPTHPGDNPC1

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
EP-1385833-A1 TRIAZINYL AMIDE DERIVATIVES AS ANGIOGENESIS INHIBITORS Amgen Inc. (US) 2004-02-04 EP disclosed
WO-2002083654-A1 TRIAZINYL AMIDE DERIVATIVES AS ANGIOGENESIS INHIBITORS AMGEN INC. (US) 2002-10-24 WO disclosed