SCHEMBL6175286

SCHEMBL6175286

CCOC(=O)CC(=O)NCC#Cc1ccc2ncnc(Nc3ccc(Oc4cccnc4)c(C)c3)c2c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 16/20 0.60
EGFR P00533 7/20 0.49
FECH P22830 1/20 0.49
CDK8 P49336 1/20 0.49
MAP2K5 Q13163 1/20 0.49
CDK19 Q9BWU1 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
ERBB4 Q15303 1/20 0.48
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
KDR P35968 1/20 0.41

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
SCHEMBL6173792 0.93 ERBB2 (0.52) ERBB2EGFRERBB4HDAC1HDAC6
SCHEMBL6171500 0.93 ERBB2 (0.63) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6175151 0.91 ERBB2 (0.64) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6174176 0.91 ERBB2 (0.61) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6175317 0.91 ERBB2 (0.62) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL4618703 0.91 ERBB2 (0.62) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6174949 0.90 ERBB2 (0.61) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL4619123 0.90 ERBB2 (0.73) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6174991 0.90 ERBB2 (0.60) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6174516 0.89 ERBB2 (0.59) ERBB2EGFRFECHCDK8MAP2K5

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-1292591-B1 SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PROD INC (US) 2005-02-02 EP disclosed