SCHEMBL18633014

SCHEMBL18633014

CN1CCC2(CC1)CC(COc1cc3ncnc(Nc4ccc(F)c(CI)c4)c3cc1NC(=O)/C=C/CBr)C2

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.69
▸ ERBB2 P04626 14/20 0.54
▸ ERBB4 Q15303 4/20 0.51
▸ GAK O14976 1/20 0.51
▸ RIPK2 O43353 1/20 0.51
▸ NR1I2 O75469 1/20 0.51
▸ LCK P06239 1/20 0.51
▸ ADORA3 P0DMS8 1/20 0.51
▸ CHRM1 P11229 1/20 0.51
▸ SRC P12931 1/20 0.51
▸ DRD2 P14416 1/20 0.51
▸ ADRA2C P18825 1/20 0.51
▸ SLC6A2 P23975 1/20 0.51
▸ MC3R P41968 1/20 0.51
▸ JAK3 P52333 1/20 0.51
▸ SLC6A3 Q01959 1/20 0.51
▸ PDE4D Q08499 1/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ RIPK3 Q9Y572 1/20 0.51

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
SCHEMBL18633148 0.93 EGFR (0.71) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL18633015 0.93 EGFR (0.67) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL15100051 0.91 EGFR (0.83) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL15090676 0.91 EGFR (0.83) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL15090527 0.85 EGFR (0.84) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL15090569 0.85 EGFR (0.84) EGFRERBB2ERBB4GAKRIPK2
Hydrochloric Acid SCHEMBL15104756 0.85 EGFR (0.83) EGFRERBB2ERBB4GAKRIPK2
Hydrochloric Acid SCHEMBL15090765 0.85 EGFR (0.83) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL18862764 0.84 EGFR (0.63) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL15781178 0.84 EGFR (0.70) 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
EP-2612860-B1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF XUANZHU PHARMA CO LTD (CN) 2017-03-15 — — EP disclosed
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