SCHEMBL28404234

SCHEMBL28404234

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2Cc1ccccc1Br

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 18/20 0.78
▸ NUDT14 O95848 2/20 0.61
▸ NUDT5 Q9UKK9 2/20 0.61
▸ FYN P06241 6/20 0.56
▸ LYN P07948 5/20 0.56
▸ LCK P06239 5/20 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
▸ BMX P51813 3/20 0.56
▸ ITK Q08881 3/20 0.56
▸ MAP2K5 Q13163 3/20 0.56
▸ YES1 P07947 2/20 0.56
▸ BLK P51451 2/20 0.56
▸ RET P07949 2/20 0.56
▸ KIT P10721 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
SCHEMBL28407417 0.88 BTK (1.00) BTKNUDT14NUDT5FYNLYN
SCHEMBL28890282 0.88 BTK (0.78) BTKNUDT14NUDT5FYNLYN
SCHEMBL28407363 0.86 BTK (0.89) BTKNUDT14NUDT5FYNLYN
SCHEMBL28417345 0.85 BTK (0.74) BTKNUDT14NUDT5FYNLYN
SCHEMBL28414695 0.84 BTK (0.69) BTKNUDT14NUDT5FYNLYN
SCHEMBL28412033 0.83 BTK (1.00) BTKNUDT14NUDT5FYNLYN
SCHEMBL28403788 0.83 BTK (0.82) BTKNUDT14NUDT5FYNLYN
SCHEMBL16448087 0.83 BTK (0.70) BTKNUDT14NUDT5FYNLYN
SCHEMBL28416537 0.82 BTK (0.86) BTKNUDT14NUDT5FYNLYN
SCHEMBL13861437 0.81 BTK (0.72) BTKNUDT14NUDT5FYNLYN

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-111196813-B 1,3, 4-trisubstituted pyrazolopyrimidine compound as well as preparation method and application thereof 山东大学 2021-10-26 — — CN disclosed
CN-111196813-A 1,3, 4-trisubstituted pyrazolopyrimidine compound as well as preparation method and application thereof 山东大学 2020-05-26 — — CN disclosed
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