SCHEMBL8419934

SCHEMBL8419934

CNc1nc(-c2ccc(F)cc2)c(-c2ccncn2)n1C1CC(C)(C)NC(C)(C)C1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.55
MAPK11 Q15759 6/20 0.55
MAPK13 O15264 5/20 0.55
MAPK12 P53778 5/20 0.55
MAPK9 P45984 2/20 0.40
MAP4K4 O95819 1/20 0.40
EGFR P00533 1/20 0.40
FRK P42685 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CSNK1E P49674 2/20 0.37
CSNK1D P48730 1/20 0.37
MAPK10 P53779 3/20 0.36
GRIA1 P42261 1/20 0.34

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
SCHEMBL6582884 0.72 MAPK14 (0.74) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL5639818 0.71 MAPK14 (1.00) MAPK14MAPK11MAPK13MAPK12CSNK1E
SCHEMBL1639908 0.71 MAPK14 (0.50) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL7608455 0.70 MAPK14 (0.75) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL8418263 0.69 MAPK14 (0.53) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL1640808 0.65 CSNK1D (0.45) MAPK14MAPK9MAP4K4EGFRFRK
SCHEMBL4916626 0.65 MAPK14 (1.00) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL5095719 0.64 MAPK14 (0.59) MAPK14MAPK11MAPK13MAPK12CSNK1A1
SCHEMBL2851563 0.64 MAPK14 (1.00) MAPK14MAPK11MAPK13MAPK12MAPK10
SCHEMBL4601388 0.64 MAPK14 (0.45) MAPK14MAPK11MAPK13MAPK12MAPK9

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-5917043-A INTERMEDIATES SMITHKLINE BEECHAM CORPORATION (US) 1999-06-29 US disclosed