SCHEMBL7512753

SCHEMBL7512753

COc1cc2ncnc(Cc3cccc(C#N)c3)c2cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.62
EGFR P00533 12/20 0.58
ABCG2 Q9UNQ0 1/20 0.58
ERBB2 P04626 1/20 0.48
HTT P42858 3/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
CSF1R P07333 3/20 0.46
PDGFRB P09619 1/20 0.46
FLT4 P35916 1/20 0.46
FLT3 P36888 1/20 0.46
LCK P06239 1/20 0.46
MAPK1 P28482 2/20 0.45
GAK O14976 1/20 0.45
ALDH1A1 P00352 1/20 0.45
FBP1 P09467 1/20 0.45
MAPT P10636 1/20 0.45
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.45

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
SCHEMBL7510839 0.86 KIT (0.60) KITEGFRABCG2HTTKDM4E
SCHEMBL6183340 0.82 EGFR (0.61) KITEGFRHTTKDM4ELMNA
SCHEMBL16585401 0.81 MAPK1 (0.65) EGFRHTTKDM4ELMNAHPGD
SCHEMBL6273407 0.81 EGFR (0.57) EGFRABCG2ERBB2HTTKDM4E
SCHEMBL7512207 0.79 MAPK1 (0.62) EGFRABCG2HTTKDM4ELMNA
SCHEMBL7515776 0.79 EGFR (0.58) KITEGFRABCG2ERBB2HTT
SCHEMBL25511931 0.77 EGFR (0.63) KITEGFRABCG2ERBB2LMNA
SCHEMBL16134156 0.77 KIT (1.00) KIT
SCHEMBL19792401 0.76 KDM4E (0.62) KITEGFRHTTKDM4ELMNA
SCHEMBL7516352 0.75 MAPK1 (0.51) EGFRERBB2HTTKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832073-B1 QUINAZOLINES AND PHARMACEUTICAL COMPOSITIONS SUGEN INC (US) 2002-01-16 EP claimed
EP-0832073-B1 QUINAZOLINES AND PHARMACEUTICAL COMPOSITIONS SUGEN INC (US) 2002-01-16 EP disclosed
US-6103728-A MODULATING TYROSINE SIGNAL TRANSDUCTION TO PREVENT AND TREAT CELL PROLIFERATIVE DISORDERS OR CELL DIFFERENTIATION DISORDERS BY INHIBITING ONE OR MORE ABNORMAL TYROSINE KINASE ACTIVITIES; ANTICARCINOGENIC,-TUMOR, PROLIFERATIVE AGENTS SUGEN, INC. (US) 2000-08-15 US disclosed
EP-0832073-A1 QUINAZOLINES AND PHARMACEUTICAL COMPOSITIONS Sugen, Inc. (US) 1998-04-01 EP disclosed
WO-1996040648-A1 QUINAZOLINES AND PHARMACEUTICAL COMPOSITIONS SUGEN, INC. (US) 1996-12-19 WO disclosed