SCHEMBL3392075

SCHEMBL3392075

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC1CN(C(=O)C=CC(=O)O)C1

nearest known ligand 0.83

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.83
ERBB2 P04626 12/20 0.70
GAK O14976 1/20 0.64
RIPK2 O43353 1/20 0.64
LYN P07948 1/20 0.64
RET P07949 1/20 0.64
EPHA1 P21709 1/20 0.64
ERBB3 P21860 1/20 0.64
EPHA2 P29317 1/20 0.64
EPHB2 P29323 1/20 0.64
EPHA5 P54756 1/20 0.64
EPHB4 P54760 1/20 0.64
EPHA4 P54764 1/20 0.64
ADK P55263 1/20 0.64
PTK6 Q13882 1/20 0.64
RIPK3 Q9Y572 1/20 0.64

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
SCHEMBL3701722 0.94 EGFR (0.83) EGFRERBB2GAKRIPK2LYN
SCHEMBL3394575 0.94 EGFR (0.83) EGFRERBB2GAKRIPK2LYN
SCHEMBL3394574 0.94 EGFR (0.83) EGFRERBB2GAKRIPK2LYN
SCHEMBL3395571 0.91 EGFR (1.00) EGFRERBB2RIPK2RETEPHB2
SCHEMBL3394578 0.90 EGFR (0.81) EGFRERBB2GAKRIPK2LYN
SCHEMBL3693188 0.89 EGFR (0.78) EGFRERBB2GAKRIPK2LYN
SCHEMBL3693184 0.89 EGFR (0.78) EGFRERBB2GAKRIPK2LYN
SCHEMBL3961338 0.87 EGFR (0.80) EGFRERBB2GAKRIPK2LYN
Fumaric Acid SCHEMBL5429654 0.86 EGFR (0.92) EGFRERBB2GAKRIPK2LYN
Maleic Acid SCHEMBL5429639 0.86 EGFR (0.92) EGFRERBB2GAKRIPK2LYN

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
EP-2167492-A2 NOVEL AMIDE DERIVATIVE FOR INHIBITING THE GROWTH OF CANCER CELLS Hanmi Pharm. Co., Ltd. (KR) 2010-03-31 EP claimed
WO-2008150118-A2 NOVEL AMIDE DERIVATIVE FOR INHIBITING THE GROWTH OF CANCER CELLS HANMI PHARM. CO., LTD. (KR) 2008-12-11 WO claimed
EP-2167492-A2 NOVEL AMIDE DERIVATIVE FOR INHIBITING THE GROWTH OF CANCER CELLS Hanmi Pharm. Co., Ltd. (KR) 2010-03-31 EP disclosed
WO-2008150118-A2 NOVEL AMIDE DERIVATIVE FOR INHIBITING THE GROWTH OF CANCER CELLS HANMI PHARM. CO., LTD. (KR) 2008-12-11 WO disclosed