SCHEMBL7119909

SCHEMBL7119909

COc1ccc(-c2cnc3[nH]cc(NC(=O)c4cccnc4)c3c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 15/20 1.00
GAK O14976 1/20 0.72
STK16 O75716 1/20 0.72
PIM1 P11309 1/20 0.72
AXL P30530 1/20 0.72
NEK2 P51955 1/20 0.72
STK3 Q13188 1/20 0.72
STK11 Q15831 1/20 0.72
BMP2K Q9NSY1 1/20 0.72
TNIK Q9UKE5 1/20 0.72
POLB P06746 1/20 0.56
TSHR P16473 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NEK1 Q96PY6 1/20 0.56

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
SCHEMBL7119080 0.90 AAK1 (0.82) AAK1GAKSTK16PIM1AXL
SCHEMBL7116291 0.88 AAK1 (1.00) AAK1GAKSTK16PIM1AXL
SCHEMBL7113082 0.88 AAK1 (0.84) AAK1GAKSTK16PIM1AXL
SCHEMBL7112349 0.87 AAK1 (1.00) AAK1GAKSTK16PIM1AXL
SCHEMBL7115610 0.87 AAK1 (0.82) AAK1GAKSTK16PIM1AXL
SCHEMBL7116259 0.87 AAK1 (0.86) AAK1GAKSTK16PIM1AXL
SCHEMBL7120086 0.86 AAK1 (0.80) AAK1GAKSTK16PIM1AXL
SCHEMBL7121484 0.86 AAK1 (0.80) AAK1GAKSTK16PIM1AXL
SCHEMBL7117898 0.85 AAK1 (0.76) AAK1AXLNEK2STK3
SCHEMBL7114376 0.85 AAK1 (0.79) AAK1GAKSTK16PIM1AXL

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