SCHEMBL7112799

SCHEMBL7112799

COc1cc(-c2cnc3[nH]cc([N+](=O)[O-])c3c2)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIT P10721 7/20 0.53
DYRK1A Q13627 4/20 0.53
AAK1 Q2M2I8 6/20 0.49
DYRK1B Q9Y463 1/20 0.48
SLC2A1 P11166 1/20 0.48
MAP3K11 Q16584 2/20 0.48
LRRK2 Q5S007 1/20 0.47
RAF1 P04049 1/20 0.46
BRAF P15056 1/20 0.46

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
SCHEMBL7113953 0.81 DYRK1A (0.70) DYRK1ADYRK1B
SCHEMBL1516821 0.81 KIT (0.70) KITDYRK1AAAK1SLC2A1MAP3K11
SCHEMBL7111627 0.80 KIT (0.61) KITDYRK1AAAK1SLC2A1MAP3K11
SCHEMBL12763532 0.78 DYRK1A (0.73) KITDYRK1AAAK1DYRK1BSLC2A1
SCHEMBL12763545 0.77 DYRK1A (0.80) KITDYRK1AAAK1SLC2A1MAP3K11
SCHEMBL1516586 0.76 AAK1 (0.65) KITDYRK1AAAK1SLC2A1MAP3K11
SCHEMBL7111817 0.76 AXL (0.60) DYRK1ADYRK1B
SCHEMBL12762944 0.74 ABL1 (0.59) KITDYRK1AAAK1DYRK1BMAP3K11
SCHEMBL12763546 0.72 AAK1 (0.59) KITDYRK1AAAK1SLC2A1
SCHEMBL7119150 0.72 MAP3K11 (0.54) KITDYRK1AAAK1MAP3K11LRRK2

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-2003028724-A1 CHK1 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-04-10 WO disclosed