SCHEMBL28782872

SCHEMBL28782872

NCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1csc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.46
MAPK11 Q15759 11/20 0.46
SMYD3 Q9H7B4 7/20 0.42
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL27797614 0.85 MAPK11 (0.44) MAPK14MAPK11SMYD3MAPK13MAPK12
SCHEMBL1752203 0.83 MAPK11 (0.65) MAPK14MAPK11MAPK13MAPK12
SCHEMBL27797615 0.83 ALDH1A1 (0.52) MAPK14MAPK11MAPK13MAPK12
SCHEMBL27797760 0.82 MAPK11 (0.53) MAPK14MAPK11MAPK13MAPK12KDM4E
SCHEMBL27797948 0.80 MAPK14 (0.71) MAPK14MAPK11SMYD3KDM4E
SCHEMBL27797618 0.80 MAPK11 (0.55) MAPK14MAPK11SMYD3MAPK13MAPK12
SCHEMBL20521778 0.79 SMYD3 (0.46) SMYD3MEN1MAPTKMT2A
SCHEMBL27776718 0.76 MAPK11 (0.53) MAPK14MAPK11SMYD3MAPK13MAPK12
SCHEMBL27776720 0.75 MAPK14 (0.48) MAPK14MAPK11MAPK13MAPK12KDM4E
SCHEMBL27776723 0.74 MAPK11 (0.49) MAPK14MAPK11MAPK13MAPK12

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-101616667-A Heterocyclic amide compounds useful as kinase inhibitors BRISTOL MYERS SQUIBB CO 2009-12-30 CN disclosed