SCHEMBL5258696

SCHEMBL5258696

CCOC(=O)c1cccc(Oc2ncccc2C(=O)NCc2ccc(CN(C(C)=O)c3cccc(O)c3)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.47
HPGD P15428 3/20 0.46
KMT2A Q03164 1/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NAMPT P43490 1/20 0.40

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
SCHEMBL4082338 0.87 MAPK8 (0.55) MAPK8HPGDKMT2ALMNASMN1; SMN2
SCHEMBL4459782 0.83 MAPK8 (0.53) MAPK8HPGDKMT2ALMNASMN1; SMN2
SCHEMBL6904255 0.83 MAPK8 (0.58) MAPK8HPGDKMT2ALMNASMN1; SMN2
SCHEMBL6454278 0.82 MAPK8 (0.49) MAPK8HPGDKMT2ALMNASMN1; SMN2
Hydrochloric Acid SCHEMBL6904251 0.82 MAPK8 (0.57) MAPK8HPGDKMT2ALMNASMN1; SMN2
SCHEMBL4086682 0.82 MAPK8 (0.52) MAPK8HPGDKMT2ALMNASMN1; SMN2
SCHEMBL8352585 0.79 MAPK8 (0.53) MAPK8HPGDKMT2ALMNASMN1; SMN2
SCHEMBL4082313 0.79 MAPK8 (0.53) MAPK8HPGDKMT2ALMNASMN1; SMN2
SCHEMBL4081804 0.76 MAPK8 (0.63) MAPK8HPGDKMT2ALMNASMN1; SMN2
SCHEMBL7313604 0.74 MAPK8 (0.67) MAPK8HPGDKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784224-A2 EGFR KINASE INHIBITOR COMBINATIONS FOR TREATING RESPIRATORY AND GASTROINTESTINAL DISORDERS Boehringer Ingelheim International GmbH (DE) 2007-05-16 EP disclosed
WO-2006015775-A2 EGFR KINASE INHIBITOR COMBINATIONS FOR TREATING RESPIRATORY AND GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-16 WO disclosed