SCHEMBL21443580

SCHEMBL21443580

COc1ccc(Nc2ncc(F)c(Nc3cccc(N)c3)n2)cc1F

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SYK P43405 11/20 0.75
AURKA O14965 4/20 0.60
EGFR P00533 4/20 0.60
ITK Q08881 2/20 0.60
KDR P35968 1/20 0.56
BCL6 P41182 1/20 0.54

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
SCHEMBL12726123 0.88 SYK (0.74) SYKAURKAEGFRITKKDR
SCHEMBL31294266 0.87 SYK (1.00) SYKAURKAEGFRITKKDR
SCHEMBL656171 0.87 SYK (1.00) SYKAURKAEGFRITKKDR
SCHEMBL12519588 0.86 EGFR (0.72) SYKEGFRITK
Hydrochloric Acid SCHEMBL653397 0.85 SYK (0.97) SYKAURKAEGFRITKKDR
SCHEMBL4935602 0.85 SYK (0.97) SYKAURKAEGFRITKKDR
Hydrochloric Acid SCHEMBL653396 0.84 SYK (0.94) SYKAURKAEGFRITKKDR
SCHEMBL12519594 0.84 EGFR (0.71) SYKEGFRITK
SCHEMBL13166587 0.83 SYK (0.66) SYKEGFRITK
SCHEMBL21443466 0.83 ABCG2 (0.58) SYKAURKAEGFRITK

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-3549934-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene CAR LLC (BM) 2019-10-09 EP disclosed