SCHEMBL5532229

SCHEMBL5532229

NC(=O)c1ncc2cc(-c3ccccc3)c(-c3ccc(C[AsH]CCC(=O)c4ccccc4N)cc3)nc2n1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 18/20 0.57
AKT2 P31751 18/20 0.57
EGFR P00533 1/20 0.35
PDGFRB P09619 1/20 0.35
FGFR1 P11362 1/20 0.35
SRC P12931 1/20 0.35
PDGFRA P16234 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR4 P22455 1/20 0.35
FGFR3 P22607 1/20 0.35
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL2896561 0.85 AKT1 (0.78) AKT1AKT2EGFRPDGFRBFGFR1
SCHEMBL13233222 0.78 AKT1 (0.55) AKT1AKT2EGFRPDGFRBFGFR1
SCHEMBL3859087 0.75 AKT1 (0.43) AKT1AKT2
SCHEMBL13263614 0.75 AKT1 (0.50) AKT1AKT2EGFRPDGFRBFGFR1
SCHEMBL2897996 0.74 AKT1 (0.65) AKT1AKT2EGFRPDGFRBFGFR1
SCHEMBL2890654 0.73 AKT1 (0.48) AKT1AKT2EGFRPDGFRBFGFR1
SCHEMBL2894176 0.73 AKT1 (1.00) AKT1AKT2
SCHEMBL13263639 0.66 AKT1 (0.77) AKT1AKT2
SCHEMBL1350832 0.65 ADORA1 (0.53) AKT1AKT2EGFRPDGFRBFGFR1
Trifluoroacetic Acid SCHEMBL1351970 0.64 FGFR1 (0.53) AKT1AKT2EGFRPDGFRBFGFR1

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
EP-1737861-A1 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2007-01-03 EP disclosed
WO-2005100356-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2005-10-27 WO disclosed