SCHEMBL8486258

SCHEMBL8486258

C=CC(=O)Oc1cc2c(Nc3ccc(Oc4ccccc4)cc3)ncnc2cc1OCCCCN(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.60
RIPK2 O43353 1/20 0.55
EPHB2 P29323 1/20 0.55
ERBB2 P04626 4/20 0.54
ERBB4 Q15303 2/20 0.51
JAK3 P52333 1/20 0.50
AURKB Q96GD4 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.47
KDR P35968 6/20 0.47
HDAC3 O15379 5/20 0.47
HDAC4 P56524 5/20 0.47
HDAC1 Q13547 5/20 0.47
HDAC7 Q8WUI4 5/20 0.47
HDAC2 Q92769 5/20 0.47
HDAC10 Q969S8 5/20 0.47
HDAC11 Q96DB2 5/20 0.47
HDAC8 Q9BY41 5/20 0.47
HDAC6 Q9UBN7 5/20 0.47
HDAC9 Q9UKV0 5/20 0.47
HDAC5 Q9UQL6 5/20 0.47

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
SCHEMBL8489385 0.91 EGFR (0.57) EGFRERBB2ERBB4AURKB
SCHEMBL7242679 0.86 EGFR (0.74) EGFRERBB2ERBB4JAK3KDR
SCHEMBL8155324 0.84 EGFR (0.55) EGFRRIPK2EPHB2ERBB2ERBB4
SCHEMBL8155329 0.83 EGFR (0.55) EGFRRIPK2EPHB2ERBB2ERBB4
SCHEMBL8490274 0.82 EGFR (0.54) EGFRERBB2KDRHDAC3HDAC4
SCHEMBL8149145 0.79 EGFR (0.66) EGFRRIPK2EPHB2ERBB2ERBB4
SCHEMBL8150558 0.79 EGFR (0.76) EGFRRIPK2EPHB2ERBB2ERBB4
SCHEMBL8142454 0.78 EGFR (0.55) EGFRERBB2KDRHDAC3HDAC4
SCHEMBL7243958 0.78 EGFR (0.71) EGFRERBB2ERBB4KDR
SCHEMBL8488612 0.78 EGFR (0.51) EGFRKDRHDAC3HDAC4HDAC1

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
WO-1999006378-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-02-11 WO disclosed