SCHEMBL28379450

SCHEMBL28379450

Nc1ncnc2c1c(-c1ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc1)nn2Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.57

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
SCHEMBL28380233 0.92 BTK (0.55) BTK
SCHEMBL28380228 0.91 BTK (0.59) BTK
SCHEMBL28380398 0.89 MTOR (0.50) BTK
SCHEMBL28380250 0.87 BTK (0.55) BTK
SCHEMBL28387553 0.87 BTK (0.56) BTK
SCHEMBL28380138 0.86 LMNA (0.51) BTK
SCHEMBL28379457 0.86 BTK (0.57) BTK
SCHEMBL28383726 0.85 BTK (0.56) BTK
SCHEMBL28887177 0.84 BTK (0.58) BTK
SCHEMBL28384517 0.84 BTK (0.56) BTK

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-111018865-A 1-substituted benzyl pyrazolopyrimidine derivative and preparation method and application thereof 山东大学 2020-04-17 — — CN claimed
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