SCHEMBL6177828

SCHEMBL6177828

CC(=O)NC/C=C/c1ccc2ncnc(Nc3ccc(Oc4cccnc4)c(C)c3)c2c1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 14/20 0.69
EGFR P00533 12/20 0.69
FECH P22830 1/20 0.69
CDK8 P49336 1/20 0.69
MAP2K5 Q13163 1/20 0.69
CDK19 Q9BWU1 1/20 0.69
MKNK2 Q9HBH9 1/20 0.69
ERBB4 Q15303 2/20 0.46
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
KDR P35968 1/20 0.42
ERBB3 P21860 1/20 0.42

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
SCHEMBL6177836 1.00 ERBB2 (0.69) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6174092 0.93 ERBB2 (0.70) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6174099 0.93 ERBB2 (0.70) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6175259 0.92 ERBB2 (0.67) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6175252 0.92 ERBB2 (0.67) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6174794 0.91 ERBB2 (0.84) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6174802 0.91 ERBB2 (0.84) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL5982303 0.91 ERBB2 (0.83) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6170353 0.91 ERBB2 (0.83) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6175901 0.91 ERBB2 (0.83) 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