SCHEMBL29847443

SCHEMBL29847443

C=CC(=O)Nc1cccc(-c2cccc3cnc(Nc4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4OC)nc23)c1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 17/20 0.70
▸ FGFR1 P11362 2/20 0.66
▸ KDR P35968 2/20 0.66
▸ FGFR2 P21802 2/20 0.61
▸ GAK O14976 1/20 0.59
▸ FES P07332 1/20 0.59
▸ FER P16591 1/20 0.59
▸ ERBB3 P21860 1/20 0.59
▸ TEC P42680 1/20 0.59
▸ CLK1 P49759 1/20 0.59
▸ JAK3 P52333 1/20 0.59
▸ PTK2 Q05397 1/20 0.59
▸ BTK Q06187 1/20 0.59
▸ TNK1 Q13470 1/20 0.59
▸ ALK Q9UM73 1/20 0.59

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
SCHEMBL16514385 1.00 EGFR (0.70) EGFRFGFR1KDRFGFR2GAK
SCHEMBL16515004 0.91 FGFR1 (0.70) EGFRFGFR1KDRFGFR2GAK
SCHEMBL20787671 0.91 FGFR1 (0.70) EGFRFGFR1KDRFGFR2GAK
SCHEMBL16513999 0.91 EGFR (0.78) EGFRFGFR1KDRFGFR2GAK
SCHEMBL29847561 0.90 FGFR1 (0.81) EGFRFGFR1KDRFGFR2GAK
SCHEMBL16513796 0.90 FGFR1 (0.81) EGFRFGFR1KDRFGFR2GAK
SCHEMBL16514225 0.89 FGFR1 (0.70) EGFRFGFR1KDRFGFR2JAK3
SCHEMBL29847661 0.89 FGFR1 (0.70) EGFRFGFR1KDRFGFR2JAK3
SCHEMBL16514731 0.88 FGFR1 (0.67) EGFRFGFR1KDRFGFR2JAK3
SCHEMBL16514278 0.88 EGFR (0.71) EGFRFGFR1KDRFGFR2ERBB3

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-109851617-B Chemical entities, compositions, and methods 润新生物公司 2022-08-16 — — CN disclosed
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