SCHEMBL6599732

SCHEMBL6599732

[O]Cc1ccc2cnccc2c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.54
TBXAS1 P24557 1/20 0.46
PDE10A Q9Y233 1/20 0.43
IMPDH2 P12268 3/20 0.42
PRMT3 O60678 3/20 0.40
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 1/20 0.40
MYLK4 Q86YV6 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
CYP3A4 P08684 1/20 0.39
AKT1 P31749 1/20 0.39
MELK Q14680 1/20 0.38

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
SCHEMBL22911613 0.84 CYP19A1 (0.54) CYP19A1TBXAS1PDE10AIMPDH2PRMT3
SCHEMBL29956130 0.81 CYP19A1 (0.51) CYP19A1TBXAS1PDE10AIMPDH2PRMT3
SCHEMBL3126133 0.81 CYP19A1 (0.51) CYP19A1TBXAS1PDE10AIMPDH2PRMT3
SCHEMBL6947317 0.80 CYP19A1 (0.54) CYP19A1TBXAS1PDE10AIMPDH2PRMT3
SCHEMBL9592639 0.80 CYP19A1 (0.54) CYP19A1TBXAS1PDE10AIMPDH2PRMT3
SCHEMBL763418 0.80 CYP1A2 (0.55) CYP19A1TBXAS1PDE10AIMPDH2PRMT3
SCHEMBL31472893 0.80 CYP19A1 (0.54) CYP19A1TBXAS1ROCK2ROCK1MYLK4
SCHEMBL5801109 0.80 CYP19A1 (0.54) CYP19A1TBXAS1ROCK2ROCK1MYLK4
SCHEMBL3144694 0.80 CYP19A1 (0.54) CYP19A1TBXAS1PDE10AIMPDH2PRMT3
SCHEMBL3825275 0.80 CYP19A1 (0.54) CYP19A1TBXAS1PDE10AIMPDH2PRMT3

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