SCHEMBL7116265

SCHEMBL7116265

Cc1cncc(C(=O)Nc2c[nH]c3ncc(-c4ccccc4)cc23)c1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 11/20 0.73
AXL P30530 6/20 0.57
GAK O14976 1/20 0.57
STK16 O75716 1/20 0.57
PIM1 P11309 1/20 0.57
NEK2 P51955 1/20 0.57
STK3 Q13188 1/20 0.57
STK11 Q15831 1/20 0.57
BMP2K Q9NSY1 1/20 0.57
TNIK Q9UKE5 1/20 0.57
SGK1 O00141 3/20 0.54
CAMKK2 Q96RR4 3/20 0.53
RIPK1 Q13546 1/20 0.53

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
SCHEMBL7120928 0.87 AAK1 (0.73) AAK1AXLGAKSTK16PIM1
SCHEMBL7118403 0.86 AAK1 (0.82) AAK1AXLGAKSTK16PIM1
SCHEMBL7112349 0.84 AAK1 (1.00) AAK1AXLGAKSTK16PIM1
SCHEMBL7118330 0.84 AAK1 (0.79) AAK1AXLGAKSTK16PIM1
SCHEMBL7119471 0.83 AAK1 (0.74) AAK1AXLGAKSTK16PIM1
SCHEMBL7117898 0.80 AAK1 (0.76) AAK1AXLNEK2STK3SGK1
SCHEMBL7111896 0.80 AAK1 (0.67) AAK1AXLSGK1CAMKK2RIPK1
SCHEMBL7116989 0.80 AAK1 (0.72) AAK1AXLGAKSTK16PIM1
SCHEMBL7118216 0.80 AAK1 (0.69) AAK1AXLGAKSTK16PIM1
SCHEMBL7118371 0.79 AAK1 (0.67) AAK1AXLGAKSTK16PIM1

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