SCHEMBL4593258

SCHEMBL4593258

COc1cc2ncncc2cc1O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.51
FGFR4 P22455 1/20 0.48
PDGFRB P09619 3/20 0.42
PDGFRA P16234 3/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RET P07949 1/20 0.40
KIF5B P33176 1/20 0.40
KDR P35968 1/20 0.40
CGAS Q8N884 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
AKR1B1 P15121 1/20 0.38
CA7 P43166 1/20 0.38
MCL1 Q07820 1/20 0.38
CA9 Q16790 1/20 0.38
CA13 Q8N1Q1 1/20 0.38

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
Hydrochloric Acid SCHEMBL27988358 0.98 EGFR (0.50) EGFRFGFR4PDGFRBPDGFRAKDM4E
Formaldehyde SCHEMBL28199969 0.94 EGFR (0.46) EGFRFGFR4PDGFRBPDGFRAKDM4E
SCHEMBL4728705 0.93 EGFR (0.51) EGFRFGFR4PDGFRBPDGFRAKDM4E
Hydrochloric Acid SCHEMBL28202312 0.92 EGFR (0.50) EGFRFGFR4PDGFRBPDGFRAKDM4E
SCHEMBL241727 0.85 EGFR (0.58) EGFRFGFR4PDGFRBPDGFRAKDM4E
Hydrochloric Acid SCHEMBL8814048 0.84 EGFR (0.56) EGFRFGFR4PDGFRBPDGFRAKDM4E
SCHEMBL28703821 0.82 EGFR (0.44) EGFRFGFR4PDGFRBPDGFRAKDM4E
Formaldehyde SCHEMBL28061098 0.81 EGFR (0.53) EGFRFGFR4PDGFRBPDGFRAKDM4E
SCHEMBL6030966 0.79 EGFR (0.46) EGFRFGFR4PDGFRBPDGFRAKDM4E
SCHEMBL30267593 0.79 EGFR (0.51) EGFRFGFR4PDGFRBPDGFRAKDM4E

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
CN-113264889-B Method suitable for industrial production and preparation of gefitinib 广西师范大学 2023-08-08 CN disclosed
CN-113200966-B Furosetinib derivative, pharmaceutical composition and application 深圳大学 2022-07-22 CN disclosed
EP-1904458-A1 METHOD FOR THE PRODUCTION OF QUINAZOLINONE DERIVATIVES Boehringer Ingelheim International GmbH (DE) 2008-04-02 EP disclosed
WO-2007003486-A1 METHOD FOR THE PRODUCTION OF QUINAZOLINONE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-11 WO disclosed