SCHEMBL18427564

SCHEMBL18427564

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCC1C

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.80
▸ ERBB2 P04626 16/20 0.80
▸ ERBB4 Q15303 5/20 0.80
▸ GAK O14976 1/20 0.80
▸ RIPK2 O43353 1/20 0.80
▸ NR1I2 O75469 1/20 0.80
▸ LCK P06239 1/20 0.80
▸ ADORA3 P0DMS8 1/20 0.80
▸ CHRM1 P11229 1/20 0.80
▸ SRC P12931 1/20 0.80
▸ DRD2 P14416 1/20 0.80
▸ ADRA2C P18825 1/20 0.80
▸ SLC6A2 P23975 1/20 0.80
▸ MC3R P41968 1/20 0.80
▸ JAK3 P52333 1/20 0.80
▸ SLC6A3 Q01959 1/20 0.80
▸ PDE4D Q08499 1/20 0.80
▸ KCNH2 Q12809 1/20 0.80
▸ RIPK3 Q9Y572 1/20 0.80

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
SCHEMBL3582421 0.93 EGFR (0.70) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL3589294 0.93 EGFR (0.80) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL3589292 0.93 EGFR (0.80) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL3582424 0.93 EGFR (0.70) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL3588471 0.91 EGFR (0.79) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL3587225 0.91 EGFR (0.71) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL3587222 0.91 EGFR (0.71) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL3588468 0.91 EGFR (0.79) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL17498563 0.91 EGFR (0.77) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL16219920 0.91 EGFR (0.77) 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 1 patent. 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
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