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SCHEMBL17675484

SCHEMBL17675484

CC#CC(=O)Nc1cc2c(Oc3ccc(C(=O)Nc4ccccn4)cc3)ccnc2cc1OC1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 15/20 1.00
▸ TEC P42680 2/20 0.74
▸ TXK P42681 2/20 0.74
▸ BLK P51451 2/20 0.74
▸ BMX P51813 2/20 0.74
▸ ERBB4 Q15303 2/20 0.74
▸ EGFR P00533 11/20 0.69
▸ ERBB2 P04626 1/20 0.67
▸ JAK3 P52333 1/20 0.67
▸ ITK Q08881 1/20 0.67
▸ GRM5 P41594 3/20 0.48
▸ CYP3A4 P08684 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ PTK2 Q05397 1/20 0.44
▸ PTK2B Q14289 1/20 0.44

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
SCHEMBL17683827 0.96 BTK (0.92) BTKTECTXKBLKBMX
SCHEMBL17675398 0.93 BTK (0.86) BTKTECTXKBLKBMX
SCHEMBL17683789 0.88 BTK (1.00) BTKTECTXKBLKBMX
SCHEMBL17675378 0.85 BTK (0.80) BTKTECTXKBLKBMX
SCHEMBL17675392 0.85 BTK (1.00) BTKTECTXKBLKBMX
SCHEMBL17675481 0.85 BTK (0.93) BTKTECTXKBLKBMX
SCHEMBL17683783 0.84 BTK (0.83) BTKTECTXKBLKBMX
SCHEMBL17675558 0.84 BTK (0.82) BTKTECTXKBLKBMX
SCHEMBL17675255 0.84 BTK (0.85) BTKTECTXKBLKBMX
SCHEMBL17675368 0.83 BTK (0.81) BTKTECTXKBLKBMX

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
WO-2016055982-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS ACERTA PHARMA B.V. (NL) 2016-04-14 — — WO claimed