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SCHEMBL7116291

SCHEMBL7116291

COc1ccc(-c2cnc3[nH]cc(NC(=O)c4cccnc4)c3c2)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 19/20 1.00
▸ GAK O14976 1/20 0.67
▸ STK16 O75716 1/20 0.67
▸ PIM1 P11309 1/20 0.67
▸ AXL P30530 1/20 0.67
▸ NEK2 P51955 1/20 0.67
▸ STK3 Q13188 1/20 0.67
▸ STK11 Q15831 1/20 0.67
▸ BMP2K Q9NSY1 1/20 0.67
▸ TNIK Q9UKE5 1/20 0.67
▸ KIT P10721 1/20 0.63
▸ STK17B O94768 1/20 0.62

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
SCHEMBL7116259 0.93 AAK1 (0.86) AAK1GAKSTK16PIM1AXL
SCHEMBL7119909 0.88 AAK1 (1.00) AAK1GAKSTK16PIM1AXL
SCHEMBL7119080 0.86 AAK1 (0.82) AAK1GAKSTK16PIM1AXL
SCHEMBL7113082 0.84 AAK1 (0.84) AAK1GAKSTK16PIM1AXL
SCHEMBL7112349 0.84 AAK1 (1.00) AAK1GAKSTK16PIM1AXL
SCHEMBL7114376 0.83 AAK1 (0.79) AAK1GAKSTK16PIM1AXL
SCHEMBL7115610 0.83 AAK1 (0.82) AAK1GAKSTK16PIM1AXL
SCHEMBL7120086 0.82 AAK1 (0.80) AAK1GAKSTK16PIM1AXL
SCHEMBL7121484 0.82 AAK1 (0.80) AAK1GAKSTK16PIM1AXL
SCHEMBL12763514 0.81 KIT (0.91) AAK1KIT

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 claimed