SCHEMBL7119154

SCHEMBL7119154

COc1cc(-c2cnc3[nH]cc(N)c3c2)ccc1OC(=O)c1cncnc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIT P10721 7/20 0.55
MAP3K11 Q16584 2/20 0.55
AAK1 Q2M2I8 7/20 0.54
DYRK1A Q13627 2/20 0.53
NTRK1 P04629 3/20 0.51
SLC2A1 P11166 1/20 0.51
PIK3CA P42336 1/20 0.51
NEK1 Q96PY6 1/20 0.50
LRRK2 Q5S007 1/20 0.49

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
SCHEMBL7113040 0.90 KIT (0.52) KITMAP3K11AAK1DYRK1ANTRK1
SCHEMBL7118428 0.89 KIT (0.52) KITMAP3K11AAK1DYRK1ANTRK1
SCHEMBL7119150 0.83 MAP3K11 (0.54) KITMAP3K11AAK1DYRK1ANTRK1
SCHEMBL7115613 0.83 AAK1 (0.57) KITMAP3K11AAK1DYRK1ANTRK1
SCHEMBL7111627 0.78 KIT (0.61) KITMAP3K11AAK1DYRK1ANTRK1
SCHEMBL7113034 0.76 MAP3K11 (0.52) KITMAP3K11AAK1DYRK1ANTRK1
SCHEMBL7118425 0.75 MAP3K11 (0.51) KITMAP3K11AAK1DYRK1ANTRK1
SCHEMBL1516569 0.73 KIT (0.81) KITMAP3K11AAK1DYRK1ANTRK1
SCHEMBL724275 0.73 MAP3K11 (0.86) KITMAP3K11AAK1DYRK1ANTRK1
Salicylic Acid SCHEMBL7115608 0.72 AAK1 (0.56) KITMAP3K11AAK1DYRK1ANTRK1

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