SCHEMBL29974760

SCHEMBL29974760

COC(=O)Nc1ccc(Nc2nc(Nc3cc(OC)c(N4CCC(N5CCN(C)CC5)CC4)cc3C)ncc2Br)c(C(C)(C)O)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 12/20 0.54
▸ PLK1 P53350 1/20 0.48
▸ FGFR3 P22607 3/20 0.47
▸ ALK Q9UM73 4/20 0.47
▸ INSR P06213 3/20 0.47
▸ IGF1R P08069 3/20 0.47
▸ KDR P35968 1/20 0.46
▸ FGFR1 P11362 1/20 0.45
▸ FGFR2 P21802 1/20 0.45
▸ FGFR4 P22455 1/20 0.45

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
SCHEMBL29084155 0.90 EGFR (0.56) EGFRPLK1ALKINSRIGF1R
SCHEMBL29084090 0.89 EGFR (0.55) EGFRPLK1FGFR3ALKINSR
SCHEMBL29084000 0.89 EGFR (0.56) EGFRPLK1FGFR3ALKINSR
SCHEMBL29084051 0.89 EGFR (0.56) EGFRPLK1ALKINSRIGF1R
SCHEMBL29084038 0.89 EGFR (0.54) EGFRPLK1FGFR3ALKINSR
SCHEMBL29083992 0.88 EGFR (0.54) EGFRPLK1ALKINSRIGF1R
SCHEMBL29084066 0.88 EGFR (0.55) EGFRPLK1FGFR3ALKINSR
SCHEMBL29083959 0.87 EGFR (0.53) EGFRPLK1ALKINSRIGF1R
SCHEMBL29084086 0.86 EGFR (0.53) EGFRPLK1ALKINSRIGF1R
SCHEMBL29084091 0.85 EGFR (0.53) EGFRPLK1ALKINSRIGF1R

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-2022206797-A1 EGFR INHIBITOR, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 2022-10-06 — — WO disclosed
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