SCHEMBL6177873

SCHEMBL6177873

O=C(NCC#Cc1ccc2ncnc(Nc3ccc(Oc4cccnc4)c(Cl)c3)c2c1)C(F)F

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 12/20 0.51
EGFR P00533 13/20 0.49
LCK P06239 1/20 0.46
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
ERBB4 Q15303 1/20 0.46

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
SCHEMBL6172873 0.92 ERBB2 (0.60) ERBB2EGFRHDAC1HDAC6ERBB4
SCHEMBL6173815 0.91 EGFR (0.53) ERBB2EGFRHDAC3HDAC4HDAC1
SCHEMBL6177169 0.91 ERBB2 (0.53) ERBB2EGFRLCKHDAC3HDAC4
SCHEMBL6189113 0.90 ERBB2 (0.51) ERBB2EGFRLCKHDAC3HDAC4
SCHEMBL6175531 0.89 ERBB2 (0.51) ERBB2EGFRLCKHDAC3HDAC4
SCHEMBL6175719 0.89 ERBB2 (0.57) ERBB2EGFRLCKHDAC3HDAC4
SCHEMBL6173857 0.88 ERBB2 (0.52) ERBB2EGFRLCKHDAC3HDAC4
SCHEMBL6171826 0.88 ERBB2 (0.62) ERBB2EGFRLCKHDAC3HDAC4
SCHEMBL6177811 0.88 ERBB2 (0.52) ERBB2EGFRLCKHDAC3HDAC4
SCHEMBL6172769 0.87 ERBB2 (0.52) ERBB2EGFRLCKHDAC3HDAC4

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