SCHEMBL18862765

SCHEMBL18862765

COc1cc2ncnc(Nc3ccc(F)c(CI)c3)c2cc1NC(=O)/C=C/CN1CC2(CCC2)C1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.67
▸ ERBB2 P04626 13/20 0.67
▸ ERBB4 Q15303 9/20 0.67
▸ JAK3 P52333 2/20 0.67
▸ GAK O14976 1/20 0.67
▸ RIPK2 O43353 1/20 0.67
▸ NR1I2 O75469 1/20 0.67
▸ LCK P06239 1/20 0.67
▸ ADORA3 P0DMS8 1/20 0.67
▸ CHRM1 P11229 1/20 0.67
▸ SRC P12931 1/20 0.67
▸ DRD2 P14416 1/20 0.67
▸ ADRA2C P18825 1/20 0.67
▸ SLC6A2 P23975 1/20 0.67
▸ MC3R P41968 1/20 0.67
▸ SLC6A3 Q01959 1/20 0.67
▸ PDE4D Q08499 1/20 0.67
▸ KCNH2 Q12809 1/20 0.67
▸ RIPK3 Q9Y572 1/20 0.67

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
SCHEMBL18862767 0.99 EGFR (0.67) EGFRERBB2ERBB4JAK3GAK
SCHEMBL15781166 0.92 EGFR (0.70) EGFRERBB2ERBB4JAK3GAK
SCHEMBL14149037 0.90 EGFR (0.82) EGFRERBB2ERBB4JAK3GAK
SCHEMBL15781177 0.90 EGFR (0.70) EGFRERBB2ERBB4JAK3GAK
Hydrochloric Acid SCHEMBL15772150 0.90 EGFR (0.81) EGFRERBB2ERBB4JAK3GAK
Hydrochloric Acid SCHEMBL15772151 0.90 EGFR (0.81) EGFRERBB2ERBB4JAK3GAK
SCHEMBL15781190 0.90 EGFR (0.71) EGFRERBB2ERBB4JAK3GAK
SCHEMBL15772055 0.89 EGFR (0.82) EGFRERBB2ERBB4JAK3GAK
SCHEMBL14148855 0.89 EGFR (0.82) EGFRERBB2ERBB4JAK3GAK
SCHEMBL18862768 0.88 EGFR (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2716633-B1 QUINAZOLINE DERIVATIVE AS TYROSINE-KINASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF XUANZHU PHARMA CO LTD (CN) 2017-05-17 — — EP disclosed
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