SCHEMBL6174472

SCHEMBL6174472

Cc1ccc(Oc2ccc(Nc3ncnc4ccc(/C=C/CNC(=O)COCC5CC5)cc34)cc2Cl)cn1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.71
ERBB2 P04626 11/20 0.71
FECH P22830 1/20 0.71
CDK8 P49336 1/20 0.71
MAP2K5 Q13163 1/20 0.71
CDK19 Q9BWU1 1/20 0.71
MKNK2 Q9HBH9 1/20 0.71
EPHA2 P29317 1/20 0.42
KDR P35968 1/20 0.42
EPHB4 P54760 1/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 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
SCHEMBL6174480 1.00 EGFR (0.71) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL6175434 0.93 ERBB2 (0.82) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL6175440 0.93 ERBB2 (0.82) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL6178275 0.92 EGFR (0.75) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL6178271 0.92 EGFR (0.75) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL4618016 0.90 EGFR (0.86) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL4618014 0.90 EGFR (0.86) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL6174132 0.89 EGFR (0.74) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL6175084 0.89 EGFR (0.74) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL6174127 0.89 EGFR (0.74) 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