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SCHEMBL28449757

SCHEMBL28449757

C=CC(=O)N1CCC(n2cc3cc(-c4c(F)cccc4OC)ccc3n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 4/20 0.44
▸ BTK Q06187 11/20 0.43
▸ IRAK4 Q9NWZ3 2/20 0.42
▸ ITK Q08881 1/20 0.41
▸ KRAS P01116 2/20 0.40
▸ FGFR4 P22455 1/20 0.39

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
SCHEMBL28452362 0.93 EGFR (0.44) EGFRBTKIRAK4ITKKRAS
SCHEMBL28450193 0.91 BTK (0.42) EGFRBTKITKKRASFGFR4
SCHEMBL28452396 0.90 BTK (0.53) EGFRBTK
SCHEMBL28461772 0.88 KRAS (0.43) EGFRBTKKRAS
SCHEMBL28450201 0.85 GPR119 (0.44) IRAK4FGFR4
SCHEMBL28454557 0.84 BTK (0.42) EGFRBTKITKKRASFGFR4
SCHEMBL28455511 0.83 BTK (0.53) EGFRBTK
SCHEMBL28898961 0.83 BTK (0.47) EGFRBTKFGFR4
SCHEMBL28454561 0.80 KRAS (0.43) EGFRBTKKRAS
SCHEMBL28458421 0.78 KRAS (0.47) EGFRBTKKRAS

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-111662232-B Small molecule compound with 2H-indazole structure and synthesis and application thereof 中国科学院上海药物研究所 2022-08-02 — — CN disclosed
CN-111662232-A Small molecule compound with 2H-indazole structure and synthesis and application thereof 中国科学院上海药物研究所 2020-09-15 — — CN disclosed