SCHEMBL7119102

SCHEMBL7119102

CC(C)(N)c1ccc(-c2cnc3[nH]cc(NC(=O)c4cccnc4)c3c2)cc1

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 14/20 0.82
GAK O14976 1/20 0.70
STK16 O75716 1/20 0.70
PIM1 P11309 1/20 0.70
AXL P30530 1/20 0.70
NEK2 P51955 1/20 0.70
STK3 Q13188 1/20 0.70
STK11 Q15831 1/20 0.70
BMP2K Q9NSY1 1/20 0.70
TNIK Q9UKE5 1/20 0.70
NEK1 Q96PY6 1/20 0.49
SGK1 O00141 1/20 0.48
DYRK1A Q13627 1/20 0.48
HDAC1 Q13547 3/20 0.47
HDAC3 O15379 1/20 0.47
HDAC2 Q92769 1/20 0.47

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
SCHEMBL7115610 0.87 AAK1 (0.82) AAK1GAKSTK16PIM1AXL
SCHEMBL7113082 0.86 AAK1 (0.84) AAK1GAKSTK16PIM1AXL
SCHEMBL7112349 0.86 AAK1 (1.00) AAK1GAKSTK16PIM1AXL
SCHEMBL7113762 0.84 AAK1 (0.77) AAK1GAKSTK16PIM1AXL
SCHEMBL7121484 0.84 AAK1 (0.80) AAK1GAKSTK16PIM1AXL
SCHEMBL7119909 0.84 AAK1 (1.00) AAK1GAKSTK16PIM1AXL
SCHEMBL7120086 0.84 AAK1 (0.80) AAK1GAKSTK16PIM1AXL
SCHEMBL7120496 0.83 AAK1 (0.79) AAK1GAKSTK16PIM1AXL
SCHEMBL19385563 0.82 AAK1 (1.00) AAK1GAKSTK16PIM1AXL
SCHEMBL7119108 0.82 AAK1 (0.75) 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