SCHEMBL16672245

SCHEMBL16672245

NC(=O)c1ccc(-c2cc(-c3ccc(C4CN(C=O)CCO4)cc3)cnc2N)cc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 15/20 0.55
MKNK1 Q9BUB5 1/20 0.55
FYN P06241 2/20 0.53
MAP4K4 O95819 3/20 0.52
CHEK1 O14757 4/20 0.52

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
SCHEMBL17004633 0.85 KCNH2 (0.53) MAP4K4
SCHEMBL17004641 0.84 KCNH2 (0.51) CHEK2FYNMAP4K4
SCHEMBL19086089 0.77 LRRK2 (0.60)
SCHEMBL12516852 0.75 CHEK2 (0.88) CHEK2MKNK1FYNMAP4K4CHEK1
SCHEMBL4620246 0.73 CHEK2 (1.00) CHEK2MKNK1FYNMAP4K4CHEK1
SCHEMBL2227506 0.72 KCNH2 (0.77) CHEK2MKNK1FYNMAP4K4CHEK1
SCHEMBL2228006 0.71 CHEK2 (0.75) CHEK2MKNK1FYNMAP4K4CHEK1
SCHEMBL12518024 0.71 KCNH2 (0.62) CHEK2MKNK1FYNMAP4K4CHEK1
SCHEMBL18613241 0.71 FYN (1.00) CHEK2MKNK1FYNMAP4K4CHEK1
SCHEMBL1633511 0.70 DRD3 (0.36)

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-9024033-B2 Anti-malarial agents MMV MEDICINES FOR MALARIA VENTURE (CH) 2015-05-05 US disclosed