SCHEMBL1634873

SCHEMBL1634873

CN1CCC(Oc2ccc3cnc(Nc4ccc(S(=O)(=O)C5CNCCO5)cc4)nc3c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 18/20 0.44
MAP4K3 Q8IVH8 1/20 0.42
CAMK2D Q13557 1/20 0.41

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
SCHEMBL1632325 0.92 HRH3 (0.40) MAP4K1
SCHEMBL1633106 0.82 IKBKB (0.49) MAP4K1MAP4K3CAMK2D
SCHEMBL1634287 0.81 IGF1R (0.47) MAP4K1MAP4K3CAMK2D
SCHEMBL1633416 0.78 MAP4K1 (0.54) MAP4K1MAP4K3
SCHEMBL1634285 0.77 MAP4K1 (0.55) MAP4K1MAP4K3
SCHEMBL1633516 0.76 IGF1R (0.49)
SCHEMBL1632828 0.75 IKBKB (0.48)
SCHEMBL1633319 0.75 JAK3 (0.49) CAMK2D
SCHEMBL1633852 0.74 JAK2 (0.56)
SCHEMBL1633471 0.74 CDK2 (0.47) MAP4K1

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
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed