SCHEMBL5873808

SCHEMBL5873808

Cc1cc(=O)[nH]n1-c1ccc(NC=C2CNc3ccc4ncsc4c32)cc1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 1/20 0.31
TLK2 Q86UE8 1/20 0.31
NEK7 Q8TDX7 1/20 0.31
NEK6 Q9HC98 1/20 0.31

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
SCHEMBL5873802 1.00 MAP3K11 (0.31) MAP3K11TLK2NEK7NEK6
SCHEMBL5425570 0.84 MAP3K11 (0.44) MAP3K11TLK2NEK7NEK6
SCHEMBL5894604 0.84 MAP3K11 (0.44) MAP3K11TLK2NEK7NEK6
SCHEMBL5425576 0.84 MAP3K11 (0.44) MAP3K11TLK2NEK7NEK6
SCHEMBL5430107 0.69 CYP1A2 (0.33)
SCHEMBL5430111 0.69 CYP1A2 (0.33)
SCHEMBL5873955 0.66 KMT2A (0.39)
SCHEMBL6872495 0.66 KMT2A (0.39)
SCHEMBL5432278 0.64 MAP3K11 (0.46) MAP3K11TLK2NEK7NEK6
SCHEMBL5873872 0.64 MAP3K11 (0.46) MAP3K11TLK2NEK7NEK6

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-7129253-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-10-31 US disclosed