SCHEMBL15928186

SCHEMBL15928186

O=[N+]([O-])c1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2cc1OCCCCl

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.67
GAK O14976 1/20 0.67
ERBB2 P04626 7/20 0.61
HDAC3 O15379 1/20 0.61
HDAC4 P56524 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC7 Q8WUI4 1/20 0.61
HDAC2 Q92769 1/20 0.61
HDAC10 Q969S8 1/20 0.61
HDAC11 Q96DB2 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
HDAC9 Q9UKV0 1/20 0.61
HDAC5 Q9UQL6 1/20 0.61
ERBB4 Q15303 2/20 0.59

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
SCHEMBL15928200 0.97 EGFR (0.67) EGFRGAKERBB2HDAC3HDAC4
SCHEMBL16212314 0.91 EGFR (0.70) EGFRGAKERBB2ERBB4
SCHEMBL17538555 0.91 EGFR (0.66) EGFRGAKERBB2HDAC3HDAC4
SCHEMBL2533768 0.90 EGFR (0.79) EGFRGAKERBB2HDAC3HDAC4
SCHEMBL2533904 0.90 EGFR (0.70) EGFRGAKERBB2ERBB4
SCHEMBL29719074 0.89 EGFR (0.69) EGFRGAKERBB2ERBB4
SCHEMBL16212746 0.89 EGFR (0.69) EGFRGAKERBB2ERBB4
SCHEMBL29578401 0.89 EGFR (0.80) EGFRGAKERBB2HDAC3HDAC4
SCHEMBL31193314 0.88 EGFR (0.66) EGFRGAKERBB2ERBB4
SCHEMBL2252507 0.88 EGFR (0.83) EGFRERBB2

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-2014117698-A1 TRICYCLIC DERIVATIVE CONTAINING QUINAZOLINE STRUCTURE, PREPARATION METHOD AND USE THEREOF 江苏奥赛康药业股份有限公司 (CN) 2014-08-07 WO disclosed