SCHEMBL21569005

SCHEMBL21569005

CN1CCC(=CC(=O)Nc2c(OC3CCOC3)ccc3c(Nc4ccc(OCc5ccccn5)c(Cl)c4)c(C#N)cnc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 14/20 0.53
▸ STK3 Q13188 6/20 0.52
▸ ERBB2 P04626 5/20 0.52
▸ STK4 Q13043 4/20 0.52
▸ BTK Q06187 2/20 0.52
▸ SRC P12931 2/20 0.49
▸ KDR P35968 2/20 0.49
▸ STK25 O00506 1/20 0.47
▸ MAP2K7 O14733 1/20 0.47
▸ CHEK1 O14757 1/20 0.47
▸ GAK O14976 1/20 0.47
▸ EPHB6 O15197 1/20 0.47
▸ ABCC4 O15439 1/20 0.47
▸ MAP3K13 O43283 1/20 0.47
▸ NUAK1 O60285 1/20 0.47
▸ STK17B O94768 1/20 0.47
▸ STK10 O94804 1/20 0.47
▸ PRKD3 O94806 1/20 0.47
▸ ABCB11 O95342 1/20 0.47
▸ MAP4K4 O95819 1/20 0.47

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
SCHEMBL21569064 0.95 EGFR (0.50) EGFRSTK3ERBB2STK4BTK
SCHEMBL21569066 0.95 EGFR (0.53) EGFRSTK3ERBB2STK4BTK
SCHEMBL21569009 0.95 EGFR (0.51) EGFRSTK3ERBB2STK4BTK
SCHEMBL21568975 0.94 EGFR (0.51) EGFRSTK3ERBB2STK4BTK
SCHEMBL21569048 0.94 EGFR (0.49) EGFRSTK3ERBB2STK4BTK
SCHEMBL21569073 0.93 EGFR (0.50) EGFRSTK3ERBB2STK4BTK
SCHEMBL21569117 0.93 EGFR (0.52) EGFRSTK3ERBB2STK4BTK
SCHEMBL14854794 0.90 EGFR (0.63) EGFRSTK3ERBB2STK4BTK
SCHEMBL21568982 0.89 EGFR (0.55) EGFRSTK3ERBB2STK4BTK
SCHEMBL21568992 0.89 EGFR (0.55) EGFRSTK3ERBB2STK4BTK

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-3222620-B1 CYANOQUINOLINE DERIVATIVES TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO LTD (CN) 2019-11-20 — — EP claimed
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