SCHEMBL12426808

SCHEMBL12426808

C#Cc1cc(Nc2ncnc3cc(OC)c(OCCCCC(=O)O)cc23)ccc1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 15/20 0.69
HDAC4 P56524 15/20 0.69
HDAC1 Q13547 15/20 0.69
HDAC7 Q8WUI4 15/20 0.69
HDAC2 Q92769 15/20 0.69
HDAC10 Q969S8 15/20 0.69
HDAC11 Q96DB2 15/20 0.69
HDAC8 Q9BY41 15/20 0.69
HDAC6 Q9UBN7 15/20 0.69
HDAC9 Q9UKV0 15/20 0.69
HDAC5 Q9UQL6 15/20 0.69
EGFR P00533 8/20 0.69
ERBB2 P04626 7/20 0.69
KDR P35968 10/20 0.62
GAK O14976 1/20 0.62
RIPK2 O43353 1/20 0.62
BUB1 O43683 1/20 0.62
STK10 O94804 1/20 0.62
ABL1 P00519 1/20 0.62
LCK P06239 1/20 0.62

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
SCHEMBL12426807 0.99 HDAC3 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8212465 0.91 HDAC3 (0.84) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12426815 0.90 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12426818 0.89 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12426799 0.85 EGFR (0.84) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12426796 0.85 EGFR (0.78) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12426798 0.84 EGFR (0.84) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3875759 0.84 EGFR (0.80) EGFRERBB2KDRGAKRIPK2
SCHEMBL8212082 0.82 HDAC3 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL642027 0.82 HDAC3 (1.00) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9108929-B2 Quinazoline based EGFR inhibitors CURIS, INC. (US) 2015-08-18 US disclosed
US-9108929-B2 Quinazoline based EGFR inhibitors CURIS, INC. (US) 2015-08-18 US disclosed
US-8349856-B2 Quinazoline based EGFR inhibitors CURIS, INC. (US) 2013-01-08 US disclosed
US-8349856-B2 Quinazoline based EGFR inhibitors CURIS, INC. (US) 2013-01-08 US disclosed
US-7977347-B2 inhibitors of epidermal growth factor receptor tyrosine kinase; anticancer; 6-(4-(3-ethynylphenylamino)-7-methoxyquinazolin-6-yloxy)hexanoic acid CURIS, INC. (US) 2011-07-12 US disclosed
US-7977347-B2 inhibitors of epidermal growth factor receptor tyrosine kinase; anticancer; 6-(4-(3-ethynylphenylamino)-7-methoxyquinazolin-6-yloxy)hexanoic acid CURIS, INC. (US) 2011-07-12 US disclosed