SCHEMBL16219961

SCHEMBL16219961

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1C2CCCCC21

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.81
▸ ERBB2 P04626 14/20 0.81
▸ ERBB4 Q15303 6/20 0.81
▸ JAK3 P52333 2/20 0.81
▸ GAK O14976 1/20 0.81
▸ RIPK2 O43353 1/20 0.81
▸ NR1I2 O75469 1/20 0.81
▸ LCK P06239 1/20 0.81
▸ ADORA3 P0DMS8 1/20 0.81
▸ CHRM1 P11229 1/20 0.81
▸ SRC P12931 1/20 0.81
▸ DRD2 P14416 1/20 0.81
▸ ADRA2C P18825 1/20 0.81
▸ SLC6A2 P23975 1/20 0.81
▸ MC3R P41968 1/20 0.81
▸ SLC6A3 Q01959 1/20 0.81
▸ PDE4D Q08499 1/20 0.81
▸ KCNH2 Q12809 1/20 0.81
▸ RIPK3 Q9Y572 1/20 0.81
▸ ERBB3 P21860 1/20 0.69

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
SCHEMBL16219810 0.98 EGFR (0.81) EGFRERBB2ERBB4JAK3GAK
SCHEMBL16219946 0.92 EGFR (0.75) EGFRERBB2ERBB4JAK3GAK
SCHEMBL16219928 0.91 EGFR (0.77) EGFRERBB2ERBB4JAK3GAK
SCHEMBL15772963 0.90 EGFR (0.96) EGFRERBB2ERBB4JAK3GAK
SCHEMBL15772960 0.90 EGFR (0.96) EGFRERBB2ERBB4JAK3GAK
SCHEMBL30115335 0.90 EGFR (0.98) EGFRERBB2ERBB4JAK3GAK
SCHEMBL25699 0.90 EGFR (0.82) EGFRERBB2ERBB4JAK3GAK
SCHEMBL30115340 0.90 EGFR (0.82) EGFRERBB2ERBB4JAK3GAK
SCHEMBL12936072 0.90 EGFR (0.78) EGFRERBB2ERBB4JAK3GAK
SCHEMBL16219804 0.90 EGFR (0.77) EGFRERBB2ERBB4JAK3GAK

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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