SCHEMBL8213639

SCHEMBL8213639

COCCOc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCC(=O)NO

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 16/20 0.77
HDAC4 P56524 16/20 0.77
HDAC1 Q13547 16/20 0.77
HDAC7 Q8WUI4 16/20 0.77
HDAC2 Q92769 16/20 0.77
HDAC10 Q969S8 16/20 0.77
HDAC11 Q96DB2 16/20 0.77
HDAC8 Q9BY41 16/20 0.77
HDAC6 Q9UBN7 16/20 0.77
HDAC9 Q9UKV0 16/20 0.77
HDAC5 Q9UQL6 16/20 0.77
ERBB2 P04626 11/20 0.77
EGFR P00533 8/20 0.77
KDR P35968 8/20 0.70

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
SCHEMBL8211781 0.97 HDAC3 (0.83) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8205069 0.90 HDAC3 (0.93) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14066712 0.89 HDAC3 (0.82) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8212695 0.88 HDAC3 (0.98) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8205595 0.88 HDAC3 (0.98) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4739338 0.87 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8212686 0.87 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8205576 0.87 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL642903 0.87 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8211574 0.86 HDAC3 (0.89) HDAC3HDAC4HDAC1HDAC7HDAC2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190287-B1 TARTRATE SALTS OR COMPLEXES OF QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS INC (US) 2014-10-29 EP disclosed
WO-2009035718-A1 TARTRATE SALTS OR COMPLEXES OF QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2009-03-19 WO disclosed
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 WO disclosed
WO-2008033747-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS, INC. (US) 2008-03-20 WO disclosed