SCHEMBL6174849

SCHEMBL6174849

Cc1ccc(Oc2ccc(Nc3ncnc4ccc(/C=C/CNC(=O)CF)cc34)cc2Cl)cn1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.73
ERBB2 P04626 11/20 0.73
FECH P22830 1/20 0.73
CDK8 P49336 1/20 0.73
MAP2K5 Q13163 1/20 0.73
CDK19 Q9BWU1 1/20 0.73
MKNK2 Q9HBH9 1/20 0.73
HDAC1 Q13547 4/20 0.45
HDAC6 Q9UBN7 4/20 0.45
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45

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
SCHEMBL4798798 1.00 EGFR (0.73) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL4798789 1.00 EGFR (0.73) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL6174127 0.93 EGFR (0.74) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL6175088 0.93 EGFR (0.74) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL6175084 0.93 EGFR (0.74) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL6174132 0.93 EGFR (0.74) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL6174350 0.93 ERBB2 (0.85) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL6174343 0.93 ERBB2 (0.85) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL4618014 0.92 EGFR (0.86) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL4618016 0.92 EGFR (0.86) EGFRERBB2FECHCDK8MAP2K5

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