SCHEMBL17387699

SCHEMBL17387699

Cc1cc(-c2c[nH]c3ncc(-c4cnn(C5CCNCC5)c4)cc23)nc(N)n1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 5/20 0.79
▸ PIK3CD O00329 1/20 0.76
▸ PIK3CA P42336 1/20 0.76
▸ PAK1 Q13153 10/20 0.61
▸ PAK4 O96013 3/20 0.61
▸ SIK1 P57059 1/20 0.58
▸ SIK3 Q9Y2K2 1/20 0.58
▸ MET P08581 4/20 0.54

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
SCHEMBL1457104 0.89 PDPK1 (1.00) PDPK1PIK3CDPIK3CAPAK1PAK4
SCHEMBL1456620 0.86 PDPK1 (1.00) PDPK1PIK3CDPIK3CAPAK1PAK4
SCHEMBL2426811 0.84 PDPK1 (0.90) PDPK1PIK3CDPIK3CAPAK1PAK4
SCHEMBL1913485 0.82 PDPK1 (0.71) PDPK1PIK3CDPIK3CAPAK1PAK4
SCHEMBL2423125 0.80 PDPK1 (0.81) PDPK1PIK3CDPIK3CAPAK1PAK4
SCHEMBL1456803 0.79 PDPK1 (0.80) PDPK1PIK3CDPIK3CAPAK1PAK4
SCHEMBL1456037 0.79 PDPK1 (0.83) PDPK1PIK3CDPIK3CA
SCHEMBL2426810 0.78 PDPK1 (0.82) PDPK1PIK3CDPIK3CAPAK1PAK4
SCHEMBL15562497 0.78 PAK1 (0.68) PDPK1PIK3CDPIK3CAPAK1PAK4
SCHEMBL19860022 0.77 SIK1 (0.79) PDPK1PIK3CDPIK3CAPAK1PAK4

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
EP-2291375-B1 PYRROLOPYRIDINYLPYRIMIDIN-2-YLAMINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-01-06 — — EP disclosed
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