SCHEMBL28397441

SCHEMBL28397441

C=CC(=O)Nc1cccc(Nc2ncnc(Nc3ccc(-c4ccc(C)nc4)cc3)n2)c1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.60
EGFR P00533 15/20 0.60
ITK Q08881 8/20 0.60
SRC P12931 1/20 0.60
BLK P51451 1/20 0.60
PIK3CD O00329 1/20 0.51

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
SCHEMBL28397630 0.89 BTK (0.61) BTKEGFRITKSRCBLK
SCHEMBL28398256 0.88 PIK3CD (0.66) BTKEGFRITKSRCBLK
SCHEMBL28404871 0.88 EGFR (0.61) BTKEGFRITKSRCBLK
SCHEMBL28402552 0.87 EGFR (0.68) BTKEGFRITKSRCBLK
SCHEMBL28406583 0.79 EGFR (0.58) BTKEGFRITKSRCBLK
SCHEMBL30423271 0.79 EGFR (0.58) BTKEGFRITKSRCBLK
SCHEMBL6483156 0.78 EGFR (0.64) BTKEGFRITKSRCBLK
SCHEMBL12519573 0.78 EGFR (0.78) BTKEGFRITK
SCHEMBL30423295 0.78 EGFR (0.75) BTKEGFRITKSRCBLK
SCHEMBL28400978 0.78 EGFR (0.75) BTKEGFRITKSRCBLK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111057021-B S-triazine compound, preparation method and application thereof 中国药科大学 2023-05-23 CN claimed
CN-111057021-A S-triazine compound and its preparing method and use 中国药科大学 2020-04-24 CN claimed
CN-111057021-B S-triazine compound, preparation method and application thereof 中国药科大学 2023-05-23 CN disclosed
CN-111057021-A S-triazine compound and its preparing method and use 中国药科大学 2020-04-24 CN disclosed