SCHEMBL16219946

SCHEMBL16219946

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1C2CCOCC21

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.75
▸ ERBB2 P04626 16/20 0.75
▸ ERBB4 Q15303 7/20 0.75
▸ GAK O14976 2/20 0.72
▸ RIPK2 O43353 2/20 0.72
▸ LCK P06239 2/20 0.72
▸ SRC P12931 2/20 0.72
▸ MC3R P41968 2/20 0.72
▸ SLC6A3 Q01959 2/20 0.72
▸ KCNH2 Q12809 2/20 0.72
▸ JAK3 P52333 2/20 0.72
▸ NR1I2 O75469 1/20 0.72
▸ ADORA3 P0DMS8 1/20 0.72
▸ CHRM1 P11229 1/20 0.72
▸ DRD2 P14416 1/20 0.72
▸ ADRA2C P18825 1/20 0.72
▸ SLC6A2 P23975 1/20 0.72
▸ PDE4D Q08499 1/20 0.72
▸ RIPK3 Q9Y572 1/20 0.72
▸ CIT O14578 1/20 0.68

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
SCHEMBL16219961 0.92 EGFR (0.81) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL16219810 0.92 EGFR (0.81) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL12936072 0.90 EGFR (0.78) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL16219911 0.89 EGFR (0.74) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL16219871 0.87 EGFR (0.75) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL16219926 0.87 EGFR (0.75) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL17498557 0.87 EGFR (0.75) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL22277127 0.87 EGFR (0.88) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL30115324 0.87 EGFR (0.88) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL16219803 0.86 EGFR (0.81) EGFRERBB2ERBB4GAKRIPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556191-B2 Aminoquinazoline derivatives and their salts and methods of use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-01-31 — — US disclosed
WO-2014177038-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-11-06 — — WO disclosed
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