SCHEMBL29638120

SCHEMBL29638120

C=CC(=O)Nc1cc(Nc2nc(SCCN(CC)CC)nc3ccnn23)c(OC)cc1F

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.44

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
SCHEMBL29638107 0.82 EGFR (0.35) EGFR
SCHEMBL29638104 0.70 MAPKAPK2 (0.45) EGFR
SCHEMBL29638115 0.67 ALDH1A1 (0.35) EGFR
SCHEMBL29638105 0.66 ALDH1A1 (0.34) EGFR
SCHEMBL29638106 0.65 EGFR (0.48) EGFR
SCHEMBL21557748 0.60 TGM2 (0.41) EGFR
SCHEMBL27004222 0.59 EGFR (0.60) EGFR
SCHEMBL23480108 0.58 EGFR (0.80) EGFR
SCHEMBL14150146 0.58 EGFR (0.65) EGFR
SCHEMBL19958218 0.57 TGM2 (0.58) EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110950871-B 2-substituted-4-arylamino pyrazolotriazine derivative and application thereof in preparing antitumor drugs 陕西师范大学 2022-05-17 — — CN claimed
CN-110950871-B 2-substituted-4-arylamino pyrazolotriazine derivative and application thereof in preparing antitumor drugs 陕西师范大学 2022-05-17 — — CN disclosed
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