SCHEMBL17447998

SCHEMBL17447998

C=CC(=O)Nc1cc(F)ccc1Cn1nc(C2CCc3ccccc3C2)c(C(N)=O)c1N

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 19/20 0.40
▸ EGFR P00533 5/20 0.40
▸ FGFR4 P22455 1/20 0.35
▸ TEC P42680 1/20 0.35

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
SCHEMBL17447963 0.94 BTK (0.39) BTKEGFRFGFR4TEC
SCHEMBL17447941 0.90 BTK (0.38) BTKEGFR
SCHEMBL17447921 0.90 BTK (0.38) BTKEGFR
SCHEMBL17447944 0.90 BTK (0.38) BTKEGFR
SCHEMBL17447816 0.90 FGFR4 (0.37) BTKEGFRFGFR4
SCHEMBL17447795 0.90 BTK (0.37) BTKEGFRFGFR4
SCHEMBL17447828 0.85 BTK (0.37) BTKEGFRTEC
SCHEMBL17447797 0.85 BTK (0.33) BTKEGFR
SCHEMBL17447960 0.85 BTK (0.38) BTKEGFR
SCHEMBL17447783 0.79 BTK (0.36) BTKEGFR

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-2016008411-A1 5-AMINO-4-CARBAMOYL-PYRAZOLE COMPOUNDS AS SELECTIVE AND IRREVERSIBLE T790M OVER WT-EGFR KINASE INHIBITORS AND USE THEREOF BEIGENE, LTD. (KY) 2016-01-21 — — WO disclosed
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