SCHEMBL10166007

SCHEMBL10166007

N#Cc1ccc(S(=O)(=O)N2CCC[C@H](Nc3nccc(-c4c(-c5ccc(F)cc5)nc5occn45)n3)C2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.67
MAPK8 P45983 6/20 0.60
MAPK9 P45984 5/20 0.60
PRKD3 O94806 4/20 0.60
MAP4K4 O95819 4/20 0.60
CSNK1A1 P48729 4/20 0.60
GSK3B P49841 4/20 0.60
CSNK1G2 P78368 4/20 0.60
PRKD2 Q9BZL6 4/20 0.60
CSNK1G1 Q9HCP0 4/20 0.60
CSNK1G3 Q9Y6M4 4/20 0.60
MAPK1 P28482 3/20 0.60
GSK3A P49840 3/20 0.60
TAOK1 Q7L7X3 3/20 0.60
MINK1 Q8N4C8 3/20 0.60
CLK2 P49760 1/20 0.60
AURKB Q96GD4 1/20 0.60
HIPK2 Q9H2X6 1/20 0.60
PIM2 Q9P1W9 1/20 0.60
ALK Q9UM73 1/20 0.60

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
SCHEMBL2745352 1.00 BRAF (0.67) BRAFMAPK8MAPK9PRKD3MAP4K4
SCHEMBL2745216 0.94 BRAF (0.74) BRAFMAPK8MAPK9PRKD3MAP4K4
SCHEMBL2746280 0.94 BRAF (0.74) BRAFMAPK8MAPK9PRKD3MAP4K4
SCHEMBL3477985 0.92 MAPK8 (0.66) BRAFMAPK8MAPK9PRKD3MAP4K4
SCHEMBL2745867 0.91 BRAF (0.70) BRAFMAPK8MAPK9PRKD3MAP4K4
SCHEMBL2745281 0.91 BRAF (0.70) BRAFMAPK8MAPK9PRKD3MAP4K4
SCHEMBL2745810 0.91 BRAF (0.69) BRAFMAPK8MAPK9PRKD3MAP4K4
SCHEMBL3478582 0.90 BRAF (0.68) BRAFMAPK8MAPK9PRKD3MAP4K4
SCHEMBL2745225 0.89 BRAF (0.69) BRAFMAPK8MAPK9PRKD3MAP4K4
SCHEMBL2746086 0.89 BRAF (0.67) BRAFMAPK8MAPK9PRKD3MAP4K4

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
US-8178672-B2 Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 MAP kinase ARQULE, INC. (US) 2012-05-15 US disclosed
US-8178672-B2 Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 MAP kinase ARQULE, INC. (US) 2012-05-15 US disclosed