SCHEMBL16399220

SCHEMBL16399220

COCC1CCN1C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 1.00
▸ ERBB2 P04626 20/20 1.00
▸ ERBB4 Q15303 4/20 0.78
▸ GAK O14976 1/20 0.77
▸ RIPK2 O43353 1/20 0.77
▸ NR1I2 O75469 1/20 0.77
▸ LCK P06239 1/20 0.77
▸ ADORA3 P0DMS8 1/20 0.77
▸ CHRM1 P11229 1/20 0.77
▸ SRC P12931 1/20 0.77
▸ DRD2 P14416 1/20 0.77
▸ ADRA2C P18825 1/20 0.77
▸ SLC6A2 P23975 1/20 0.77
▸ MC3R P41968 1/20 0.77
▸ JAK3 P52333 1/20 0.77
▸ SLC6A3 Q01959 1/20 0.77
▸ PDE4D Q08499 1/20 0.77
▸ KCNH2 Q12809 1/20 0.77
▸ RIPK3 Q9Y572 1/20 0.77

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
SCHEMBL17821495 1.00 EGFR (1.00) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL17821492 1.00 EGFR (1.00) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL16403391 1.00 EGFR (1.00) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL17821507 1.00 EGFR (1.00) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL17821509 1.00 EGFR (1.00) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL17821487 0.95 EGFR (1.00) EGFRERBB2ERBB4
SCHEMBL17821503 0.95 EGFR (1.00) EGFRERBB2ERBB4
SCHEMBL17821486 0.95 EGFR (1.00) EGFRERBB2ERBB4
SCHEMBL16398796 0.95 EGFR (1.00) EGFRERBB2ERBB4
SCHEMBL16405622 0.95 EGFR (1.00) EGFRERBB2ERBB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107892684-B Quinazoline derivatives, pharmaceutical compositions thereof, and use as medicaments 锦州奥鸿药业有限责任公司 2020-05-26 — — CN disclosed
EP-3022186-A1 QUINAZOLINE DERIVATIVES, COMPOSITIONS THEREOF, AND USE AS PHARMACEUTICALS Shanghai Fochon Pharmaceutical Co. Ltd (CN) 2016-05-25 — — EP disclosed
WO-2015007219-A1 QUINAZOLINE DERIVATIVES, COMPOSITIONS THEREOF, AND USE AS PHARMACEUTICALS SHANGHAI FOCHON PHARMACEUTICAL CO LTD (CN) 2015-01-22 — — WO disclosed
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