SCHEMBL13023964

SCHEMBL13023964

C=C(Nc1ccc(N(C)C)cc1)N1CCC(Nc2nccc(-c3c(-c4ccc(C5C=CC=CC5)cc4)nc4sccn34)n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.44
TAOK1 Q7L7X3 2/20 0.42
MAP4K4 O95819 2/20 0.42
PRKD3 O94806 1/20 0.42
CDK2 P24941 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CSNK1D P48730 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
CSNK1G2 P78368 1/20 0.42
MINK1 Q8N4C8 1/20 0.42
PRKD2 Q9BZL6 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
CSNK1G1 Q9HCP0 1/20 0.42
CSNK1G3 Q9Y6M4 1/20 0.42
IGF1R P08069 9/20 0.38
EGFR P00533 9/20 0.38

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
SCHEMBL13022393 0.85 BRAF (0.48) BRAFTAOK1MAP4K4PRKD3CDK2
SCHEMBL2746204 0.81 EGFR (0.49) BRAFTAOK1MAP4K4PRKD3CDK2
SCHEMBL2746248 0.79 BRAF (0.48) BRAFTAOK1MAP4K4PRKD3CDK2
SCHEMBL2746185 0.79 BRAF (0.48) BRAFTAOK1MAP4K4PRKD3CDK2
SCHEMBL3810706 0.76 BRAF (0.63) BRAFTAOK1MAP4K4PRKD3CDK2
SCHEMBL2745347 0.75 RAF1 (0.55) BRAFMAPK8PTK2CDK19FGFR1
SCHEMBL2754169 0.75 BRAF (0.49) BRAFTAOK1MAP4K4PRKD3CDK2
SCHEMBL3808892 0.73 MAPK8 (0.73) BRAFTAOK1MAP4K4PRKD3CDK2
SCHEMBL2745330 0.73 BRAF (0.54) BRAFTAOK1MAP4K4PRKD3MAPK1
SCHEMBL2746612 0.72 BRAF (0.60) BRAFTAOK1MAP4K4PRKD3CDK2

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
EP-2258704-A1 Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 map kinase ArQule, Inc. (US) 2010-12-08 EP disclosed