SCHEMBL8430944

SCHEMBL8430944

N/C(C(=O)O)=C(/C=O)c1ccc2ncnc(Nc3cccc(Br)c3)c2c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.60
EGFR P00533 16/20 0.58
ERBB2 P04626 6/20 0.58
ERBB4 Q15303 2/20 0.56
FYN P06241 1/20 0.56
SRC P12931 1/20 0.56
BLK P51451 1/20 0.56
BMX P51813 1/20 0.56
JAK3 P52333 1/20 0.56
BTK Q06187 1/20 0.56

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
SCHEMBL8430952 1.00 KDM4E (0.60) KDM4EEGFRERBB2ERBB4FYN
SCHEMBL8434635 1.00 KDM4E (0.60) KDM4EEGFRERBB2ERBB4FYN
SCHEMBL8432791 0.88 EGFR (0.59) EGFRERBB2ERBB4
SCHEMBL8432793 0.88 EGFR (0.59) EGFRERBB2ERBB4
SCHEMBL7122834 0.84 EGFR (0.70) KDM4EEGFRERBB2ERBB4FYN
SCHEMBL7161985 0.81 EGFR (0.64) KDM4EEGFRERBB2ERBB4FYN
SCHEMBL6273052 0.80 EGFR (0.70) KDM4EEGFRERBB2ERBB4FYN
SCHEMBL2990711 0.79 EGFR (0.72) KDM4EEGFRERBB2ERBB4FYN
SCHEMBL8430897 0.78 BRAF (0.48) EGFRBTK
SCHEMBL27522925 0.76 EGFR (0.70) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5929080-A ADMINISTERING PHENYLAMINOQUINAZOLINE DERIVATIVE AMERICAN CYANAMID COMPANY (US) 1999-07-27 US claimed
US-5760041-A 4-aminoquinazoline EGFR Inhibitors AMERICAN CYANAMID COMPANY (US) 1998-06-02 US claimed
US-5929080-A ADMINISTERING PHENYLAMINOQUINAZOLINE DERIVATIVE AMERICAN CYANAMID COMPANY (US) 1999-07-27 US disclosed
US-5760041-A 4-aminoquinazoline EGFR Inhibitors AMERICAN CYANAMID COMPANY (US) 1998-06-02 US disclosed