SCHEMBL301041

SCHEMBL301041

Cc1ccc(-n2nc(C(C)(C)C)cc2N(C(N)=O)c2ccc(N(C)c3ccncc3)c3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.46
PTK2 Q05397 3/20 0.43
MAPK14 Q16539 13/20 0.43
MAPK12 P53778 8/20 0.43
MAPK13 O15264 7/20 0.43
MAPK11 Q15759 6/20 0.43
DDR2 Q16832 2/20 0.43
HCK P08631 2/20 0.42
TNF P01375 1/20 0.42
CYP2C8 P10632 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38

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
SCHEMBL296302 0.81 MAPK14 (0.64) PTK2MAPK14MAPK12MAPK13MAPK11
SCHEMBL5998813 0.75 MAPK14 (0.34) CDK8MAPK14MAPK12MAPK13MAPK11
SCHEMBL6452416 0.74 MAPK9 (0.51) CDK8PTK2MAPK14MAPK12MAPK13
SCHEMBL5990657 0.74 MAPK9 (0.46) CDK8PTK2MAPK14MAPK12MAPK13
SCHEMBL6284852 0.74 TNF (0.33) MAPK14MAPK12HCKTNF
SCHEMBL18546331 0.74 MAPK14 (0.53) CDK8MAPK14MAPK12MAPK13MAPK11
SCHEMBL6275274 0.73 RAF1 (0.40) PTK2MAPK14MAPK12MAPK13MAPK11
SCHEMBL5989034 0.73 MAPK9 (0.55) CDK8PTK2MAPK14MAPK12MAPK13
SCHEMBL17237755 0.73 MAPK14 (0.67) CDK8PTK2MAPK14MAPK12MAPK13
SCHEMBL2243158 0.73 MAPK13 (0.54) PTK2MAPK14MAPK12MAPK13MAPK11

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
EP-1147104-B1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTIINFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMA (US) 2012-03-14 EP claimed