SCHEMBL30353469

SCHEMBL30353469

C=CC(=O)Nc1cccc(-n2c(=O)cnc3cnc(Nc4ccc(N5CCN(C)CC5)cc4OCOC)nc32)c1

nearest known ligand 0.87

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.87
▸ FLT3 P36888 3/20 0.87
▸ BLK P51451 2/20 0.87
▸ BTK Q06187 5/20 0.75
▸ JAK3 P52333 1/20 0.70

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
SCHEMBL18294430 1.00 EGFR (0.87) EGFRFLT3BLKBTKJAK3
SCHEMBL18294440 0.94 EGFR (0.86) EGFRFLT3BLKBTKJAK3
SCHEMBL30353468 0.94 EGFR (0.86) EGFRFLT3BLKBTKJAK3
SCHEMBL30192805 0.93 EGFR (1.00) EGFRFLT3BLKBTKJAK3
SCHEMBL16680603 0.93 EGFR (1.00) EGFRFLT3BLKBTKJAK3
SCHEMBL20185558 0.92 EGFR (0.73) EGFRFLT3BLKBTKJAK3
SCHEMBL20080150 0.89 EGFR (0.68) EGFRFLT3BLKBTKJAK3
SCHEMBL29572794 0.89 EGFR (0.69) EGFRFLT3BLKBTKJAK3
SCHEMBL30353479 0.89 EGFR (0.69) EGFRFLT3BLKBTKJAK3
SCHEMBL18294533 0.89 EGFR (0.69) EGFRFLT3BLKBTKJAK3

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
CN-107922417-B Use of pteridinone derivatives as EGFR inhibitors 上海壹典医药科技开发有限公司 2023-01-24 — — CN disclosed
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