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SCHEMBL29847858

SCHEMBL29847858

C=CC(=O)Nc1cccc(-c2cccc3cnc(Nc4ccc(N5CCN(C(C)=O)CC5)cc4)nc23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 9/20 1.00
▸ FGFR2 P21802 3/20 0.78
▸ FGFR1 P11362 3/20 0.68
▸ KDR P35968 3/20 0.68
▸ BTK Q06187 5/20 0.61
▸ JAK2 O60674 3/20 0.58
▸ BRD4 O60885 1/20 0.58
▸ JAK3 P52333 4/20 0.56
▸ JAK1 P23458 2/20 0.56
▸ TYK2 P29597 2/20 0.56

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
SCHEMBL16513503 1.00 EGFR (1.00) EGFRFGFR2FGFR1KDRBTK
SCHEMBL29848214 0.93 EGFR (0.87) EGFRFGFR2FGFR1KDRBTK
SCHEMBL16513554 0.93 EGFR (0.87) EGFRFGFR2FGFR1KDRBTK
SCHEMBL20787685 0.93 EGFR (0.86) EGFRFGFR2FGFR1KDRBTK
SCHEMBL29847980 0.92 EGFR (0.85) EGFRFGFR2FGFR1KDRBTK
SCHEMBL16513557 0.92 EGFR (0.85) EGFRFGFR2FGFR1KDRBTK
SCHEMBL16514002 0.92 EGFR (0.85) EGFRFGFR2FGFR1KDRBTK
SCHEMBL16514922 0.92 EGFR (0.85) EGFRFGFR2FGFR1KDRBTK
SCHEMBL29847016 0.92 EGFR (0.85) EGFRFGFR2FGFR1KDRBTK
SCHEMBL16513466 0.91 EGFR (0.84) EGFRFGFR2FGFR1KDRBTK

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