SCHEMBL1631322

SCHEMBL1631322

CC(C)Cn1cc(-c2ccc3cnc(Nc4ccc(S(=O)(=O)NCCN5CCN(C)CC5)cc4)nc3c2)cn1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 7/20 0.53
▸ MAP4K3 Q8IVH8 1/20 0.49
▸ SRC P12931 13/20 0.44
▸ PDGFRB P09619 3/20 0.42
▸ YES1 P07947 1/20 0.42
▸ EPHB4 P54760 1/20 0.42

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
SCHEMBL1633500 0.95 MAP4K1 (0.50) MAP4K1MAP4K3SRCPDGFRBYES1
SCHEMBL1633717 0.94 MAP4K1 (0.49) MAP4K1MAP4K3SRCPDGFRBYES1
SCHEMBL12725118 0.91 MAP4K1 (0.57) MAP4K1MAP4K3SRCPDGFRBYES1
SCHEMBL1635169 0.90 SRC (0.49) MAP4K1MAP4K3SRCPDGFRBYES1
SCHEMBL12725121 0.85 MAP4K1 (0.53) MAP4K1MAP4K3SRCPDGFRBYES1
SCHEMBL12725113 0.85 MAP4K1 (0.53) MAP4K1MAP4K3SRCPDGFRBYES1
SCHEMBL12725109 0.83 MAP4K1 (0.51) MAP4K1MAP4K3SRCPDGFRBYES1
SCHEMBL1632107 0.82 MAP4K1 (0.67) MAP4K1MAP4K3
SCHEMBL1633220 0.82 MAP4K1 (0.51) MAP4K1MAP4K3
SCHEMBL12725107 0.81 MAP4K1 (0.52) MAP4K1MAP4K3SRCPDGFRBYES1

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
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