SCHEMBL28417345

SCHEMBL28417345

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2Cc1ccccc1C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 19/20 0.74
▸ LCK P06239 8/20 0.61
▸ ITK Q08881 6/20 0.61
▸ EGFR P00533 6/20 0.61
▸ JAK3 P52333 4/20 0.61
▸ NUDT14 O95848 1/20 0.58
▸ NUDT5 Q9UKK9 1/20 0.58
▸ FYN P06241 4/20 0.56
▸ LYN P07948 4/20 0.56
▸ SRC P12931 4/20 0.56
▸ FLT3 P36888 4/20 0.56
▸ PTK6 Q13882 4/20 0.56
▸ HCK P08631 3/20 0.56
▸ FGR P09769 3/20 0.56
▸ MAP2K1 Q02750 3/20 0.56
▸ BRAF P15056 3/20 0.56
▸ YES1 P07947 2/20 0.56
▸ BLK P51451 2/20 0.56
▸ BMX P51813 2/20 0.56
▸ MAP2K5 Q13163 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
SCHEMBL28414695 0.91 BTK (0.69) BTKLCKITKEGFRJAK3
SCHEMBL28412178 0.88 BTK (0.67) BTKLCKITKEGFRJAK3
SCHEMBL28404234 0.85 BTK (0.78) BTKLCKITKEGFRJAK3
SCHEMBL28890282 0.85 BTK (0.78) BTKLCKITKEGFRJAK3
SCHEMBL28407417 0.85 BTK (1.00) BTKLCKITKEGFRJAK3
SCHEMBL28415217 0.84 BTK (0.80) BTKLCKITKEGFRJAK3
SCHEMBL28421623 0.84 BTK (0.78) BTKLCKITKEGFRJAK3
SCHEMBL28407363 0.83 BTK (0.89) BTKLCKITKEGFRJAK3
SCHEMBL28421619 0.83 BTK (0.77) BTKLCKITKEGFRJAK3
SCHEMBL28421621 0.82 BTK (0.80) BTKLCKITKEGFRJAK3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111171035-B Preparation method and application of 4-phenoxyphenyl pyrazolopyrimidine amide derivative 山东大学 2021-03-30 — — CN claimed
CN-111171035-A Preparation method and application of 4-phenoxyphenyl pyrazolopyrimidine amide derivative 山东大学 2020-05-19 — — CN claimed
CN-111171035-B Preparation method and application of 4-phenoxyphenyl pyrazolopyrimidine amide derivative 山东大学 2021-03-30 — — CN disclosed
CN-111171035-A Preparation method and application of 4-phenoxyphenyl pyrazolopyrimidine amide derivative 山东大学 2020-05-19 — — CN disclosed
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