SCHEMBL7690668

SCHEMBL7690668

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(N3CCC(CCN4CCOCC4)CC3)c3ccccc23)cn1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.75
TNF P01375 6/20 0.75
DDR2 Q16832 4/20 0.64
MAPK13 O15264 2/20 0.64
MAPK12 P53778 2/20 0.64
MAPK11 Q15759 2/20 0.64
ABL1 P00519 2/20 0.64
RAF1 P04049 2/20 0.64
LYN P07948 2/20 0.64
SRC P12931 2/20 0.64
MAPK9 P45984 2/20 0.64
CIT O14578 1/20 0.64
MUSK O15146 1/20 0.64
MAP3K7 O43318 1/20 0.64
RIPK2 O43353 1/20 0.64
STK10 O94804 1/20 0.64
MAP4K4 O95819 1/20 0.64
CHEK2 O96017 1/20 0.64
EGFR P00533 1/20 0.64
NTRK1 P04629 1/20 0.64

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
SCHEMBL4092120 0.94 MAPK14 (0.71) MAPK14TNFDDR2MAPK13MAPK12
SCHEMBL7690665 0.88 MAPK14 (0.65) MAPK14TNFDDR2MAPK13MAPK12
SCHEMBL29594286 0.86 MAPK14 (0.85) MAPK14TNFDDR2MAPK13MAPK12
SCHEMBL29593463 0.86 MAPK14 (1.00) MAPK14TNFDDR2MAPK13MAPK12
SCHEMBL295694 0.86 MAPK14 (1.00) MAPK14TNFDDR2MAPK13MAPK12
SCHEMBL28458471 0.86 MAPK14 (0.85) MAPK14TNFDDR2MAPK13MAPK12
SCHEMBL4081862 0.85 MAPK14 (0.70) MAPK14TNFDDR2MAPK13MAPK12
SCHEMBL7690670 0.82 MAPK14 (0.62) MAPK14TNFDDR2MAPK13MAPK12
SCHEMBL4095048 0.82 ABL1 (0.75) MAPK14TNFDDR2MAPK13MAPK12
SCHEMBL30335555 0.82 MAPK14 (0.72) MAPK14TNFDDR2MAPK13MAPK12

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-6358945-B1 CYTOKINE, TUMOR NECROSIS FACTOR, AND INTERLEUKIN INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-03-19 US disclosed