SCHEMBL30820517

SCHEMBL30820517

COCCOc1cc2ncnc(Nc3cc(Br)ccc3OC)c2cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 13/20 0.64
▸ FBP1 P09467 2/20 0.59
▸ ABCG2 Q9UNQ0 2/20 0.58
▸ KDR P35968 5/20 0.52
▸ RET P07949 1/20 0.51
▸ KIF5B P33176 1/20 0.51
▸ FGFR1 P11362 1/20 0.51
▸ FLT1 P17948 1/20 0.51
▸ FLT4 P35916 1/20 0.51
▸ GAK O14976 1/20 0.50

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
SCHEMBL30820490 0.91 EGFR (0.76) EGFRFBP1ABCG2KDRRET
SCHEMBL4578533 0.89 KDR (0.65) EGFRFBP1KDRRETKIF5B
SCHEMBL30820511 0.85 EGFR (0.64) EGFRFBP1ABCG2KDRRET
SCHEMBL30820491 0.84 EGFR (0.63) EGFRFBP1ABCG2KDRRET
SCHEMBL29168705 0.84 EGFR (0.63) EGFRFBP1ABCG2KDRRET
SCHEMBL30820443 0.84 EGFR (0.63) EGFRFBP1ABCG2KDRRET
SCHEMBL30820600 0.83 FBP1 (0.62) EGFRFBP1ABCG2KDRRET
SCHEMBL29168723 0.83 FBP1 (0.62) EGFRFBP1ABCG2KDRRET
SCHEMBL1468038 0.80 KDR (0.77) EGFRKDRFGFR1FLT1FLT4
SCHEMBL16212500 0.80 KDR (0.57) EGFRABCG2KDRRETFGFR1

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-117693505-A Heteroaryl derivative compounds and uses thereof 沃若诺伊公司 2024-03-12 — — CN disclosed
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