SCHEMBL28466379

SCHEMBL28466379

CS(=O)(=O)N1CCC(n2cc(-c3ncnc4[nH]ccc34)cn2)CC1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.66
JAK1 P23458 16/20 0.66
JAK3 P52333 4/20 0.50

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
SCHEMBL28472073 0.91 JAK1 (0.67) JAK2JAK1JAK3
SCHEMBL28462194 0.90 JAK2 (0.66) JAK2JAK1JAK3
SCHEMBL28468665 0.87 JAK2 (0.58) JAK2JAK1JAK3
SCHEMBL28461972 0.86 JAK2 (0.57) JAK2JAK1JAK3
SCHEMBL3377812 0.86 JAK2 (0.57) JAK2JAK1JAK3
SCHEMBL18522662 0.86 JAK2 (0.54) JAK2JAK1JAK3
SCHEMBL28464766 0.85 JAK2 (0.51) JAK2JAK1JAK3
SCHEMBL3376133 0.85 JAK2 (0.56) JAK2JAK1JAK3
SCHEMBL22462090 0.85 JAK2 (0.65) JAK2JAK1
SCHEMBL28462188 0.85 JAK2 (0.58) JAK2JAK1

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-111620873-B Pyrrolo [2,3-d ] pyrimidine derivatives containing piperidine and preparation and application thereof 沈阳药科大学 2021-12-28 CN claimed
CN-111620873-A Pyrrolo [2,3-d ] pyrimidine derivatives containing piperidine and preparation and application thereof 沈阳药科大学 2020-09-04 CN claimed
CN-111620873-B Pyrrolo [2,3-d ] pyrimidine derivatives containing piperidine and preparation and application thereof 沈阳药科大学 2021-12-28 CN disclosed
CN-111620873-A Pyrrolo [2,3-d ] pyrimidine derivatives containing piperidine and preparation and application thereof 沈阳药科大学 2020-09-04 CN disclosed