SCHEMBL30192805

SCHEMBL30192805

C=CC(=O)Nc1cccc(-n2c(=O)cnc3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 1.00
▸ FLT3 P36888 3/20 1.00
▸ BLK P51451 2/20 1.00
▸ JAK3 P52333 1/20 0.80
▸ BTK Q06187 6/20 0.79
▸ CYP3A4 P08684 1/20 0.73

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
SCHEMBL16680603 1.00 EGFR (1.00) EGFRFLT3BLKJAK3BTK
SCHEMBL30353469 0.93 EGFR (0.87) EGFRFLT3BLKJAK3BTK
SCHEMBL18294430 0.93 EGFR (0.87) EGFRFLT3BLKJAK3BTK
SCHEMBL18294436 0.93 EGFR (0.87) EGFRFLT3BLKJAK3BTK
SCHEMBL30353489 0.93 EGFR (0.87) EGFRFLT3BLKJAK3BTK
SCHEMBL16693941 0.93 EGFR (1.00) EGFRFLT3BLKJAK3BTK
SCHEMBL18294441 0.93 EGFR (0.86) EGFRFLT3BLKJAK3BTK
SCHEMBL29572941 0.93 EGFR (0.86) EGFRFLT3BLKJAK3BTK
SCHEMBL18294440 0.93 EGFR (0.86) EGFRFLT3BLKJAK3BTK
SCHEMBL30353468 0.93 EGFR (0.86) EGFRFLT3BLKJAK3BTK

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-2023284747-A1 NOVEL USE OF EGFR INHIBITOR 上海汇伦医药股份有限公司 2023-01-19 — — WO disclosed
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