SCHEMBL6174646

SCHEMBL6174646

CCC(=O)NCC#Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(Cl)c3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 10/20 0.55
EGFR P00533 11/20 0.54
FECH P22830 1/20 0.51
CDK8 P49336 1/20 0.51
MAP2K5 Q13163 1/20 0.51
CDK19 Q9BWU1 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51
HDAC1 Q13547 4/20 0.49
HDAC6 Q9UBN7 4/20 0.49
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49

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
SCHEMBL6173614 0.94 ERBB2 (0.55) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6177010 0.93 ERBB2 (0.54) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6171642 0.93 ERBB2 (0.54) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6173724 0.93 ERBB2 (0.65) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL4616858 0.92 EGFR (0.53) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6175828 0.92 ERBB2 (0.64) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6172332 0.92 EGFR (0.55) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6176231 0.92 ERBB2 (0.53) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6172657 0.92 ERBB2 (0.53) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6174290 0.92 ERBB2 (0.53) 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