SCHEMBL27640941

SCHEMBL27640941

CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(-c2ccccc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 1.00
MAPK13 O15264 11/20 1.00
MAPK12 P53778 11/20 1.00
MAPK11 Q15759 11/20 1.00
DDR2 Q16832 3/20 0.82
MAPK9 P45984 1/20 0.82
SRC P12931 1/20 0.78
MAPT P10636 1/20 0.70

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
SCHEMBL28942120 0.92 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3194134 0.92 MAPK14 (0.84) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL12245421 0.91 MAPK14 (0.88) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL12245411 0.90 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL2079824 0.90 MAPK14 (0.81) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3300823 0.89 MAPK14 (0.80) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3192015 0.89 MAPK14 (0.82) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL13857353 0.89 MAPK14 (0.80) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3292974 0.89 MAPK14 (0.80) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL12245434 0.88 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11DDR2

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
CN-1756849-A Modulation of protein functionality DECIPHERA PHARMACEUTICALS LLC (US) 2006-04-05 CN disclosed