SCHEMBL7967169

SCHEMBL7967169

COCC1CN(CC#Cc2ccc3ccccc3c2NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C)cc2)CCO1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.49
MAPK12 P53778 5/20 0.49
MAPK13 O15264 4/20 0.49
MAPK11 Q15759 4/20 0.49
DDR2 Q16832 2/20 0.49
TNF P01375 3/20 0.47
MAPK9 P45984 3/20 0.47
ABL1 P00519 2/20 0.47
RAF1 P04049 2/20 0.47
LYN P07948 2/20 0.47
SRC P12931 2/20 0.47
NTRK1 P04629 2/20 0.47
HCK P08631 2/20 0.47
CIT O14578 1/20 0.47
MUSK O15146 1/20 0.47
MAP3K7 O43318 1/20 0.47
RIPK2 O43353 1/20 0.47
STK10 O94804 1/20 0.47
MAP4K4 O95819 1/20 0.47
CHEK2 O96017 1/20 0.47

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
SCHEMBL296936 0.90 MAPK14 (0.57) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL6261368 0.82 MAPK14 (0.48) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL6719679 0.78 MAPK14 (0.76) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL295875 0.77 TNF (0.77) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL20876989 0.77 TNF (0.77) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL6411778 0.76 MAPK14 (0.41) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL294693 0.76 MAPK14 (0.72) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL7964926 0.75 MAPK14 (0.78) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL6053696 0.73 MAPK14 (0.54) MAPK14MAPK12MAPK13MAPK11DDR2
SCHEMBL6719685 0.73 MAPK14 (0.46) MAPK14MAPK12MAPK13MAPK11DDR2

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-6319921-B1 FOR TREATMENT OF RHEUMATOID ARTHRITIS, MULTIPLE SCLEROSIS, GUILLAIN-BARRE SYNDROME, CROHN'S DISEASE ULCERATIVE COLITIS, PSORIASIS, GRAFT VERSUS HOST DISEASE, SYSTEMIC LUPUS ERYTHEMATOSUS AND DIABETES BOERHINGER INGELHEIM PHARMACEUTICALS, INC. 2001-11-20 US claimed