SCHEMBL3717068

SCHEMBL3717068

COc1cccc(-c2cnc3[nH]ncc3c2N2CCN(C(=O)C(N)Cc3ccc(Cl)cc3)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.59
AKT2 P31751 2/20 0.46
AKT3 Q9Y243 2/20 0.46
AKT1S1 Q96B36 1/20 0.46

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
SCHEMBL3720578 0.90 AKT1 (0.58) AKT1AKT2AKT3AKT1S1
SCHEMBL3720574 0.90 AKT1 (0.58) AKT1AKT2AKT3AKT1S1
SCHEMBL3774558 0.80 AKT1 (0.45) AKT1
SCHEMBL3731039 0.80 AKT1 (0.72) AKT1AKT2AKT3AKT1S1
SCHEMBL3731036 0.80 AKT1 (0.72) AKT1AKT2AKT3AKT1S1
SCHEMBL3721951 0.79 AKT1 (0.61) AKT1AKT2AKT3AKT1S1
SCHEMBL3721947 0.79 AKT1 (0.61) AKT1AKT2AKT3AKT1S1
Hydrochloric Acid SCHEMBL3725200 0.79 AKT1 (0.70) AKT1AKT2AKT3AKT1S1
Hydrochloric Acid SCHEMBL3725195 0.79 AKT1 (0.70) AKT1AKT2AKT3AKT1S1
SCHEMBL3741797 0.79 AKT1 (0.50) AKT1AKT2AKT3AKT1S1

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-2242757-A1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-10-27 EP disclosed
WO-2009089359-A1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-07-16 WO disclosed