SCHEMBL7855856

SCHEMBL7855856

OCCCN(c1ncnc2[nH]ccc12)C1CCCCCC1.OCCCNC1CCCCCC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 17/20 0.52
JAK1 P23458 10/20 0.52
JAK2 O60674 5/20 0.52
TYK2 P29597 3/20 0.42
HPGDS O60760 1/20 0.42
HTR1A P08908 1/20 0.41

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
SCHEMBL7856739 0.99 JAK3 (0.51) JAK3JAK1JAK2TYK2HPGDS
SCHEMBL3542862 0.92 JAK3 (0.60) JAK3JAK1JAK2TYK2
SCHEMBL3535240 0.91 JAK3 (0.60) JAK3JAK1JAK2TYK2
SCHEMBL7855244 0.89 JAK3 (0.56) JAK3JAK1JAK2TYK2
SCHEMBL7848065 0.89 JAK3 (0.53) JAK3JAK1JAK2TYK2HPGDS
SCHEMBL3531561 0.85 JAK3 (0.63) JAK3JAK1JAK2TYK2
SCHEMBL3535934 0.85 JAK3 (0.63) JAK3JAK1JAK2TYK2
SCHEMBL3535693 0.84 JAK3 (0.62) JAK3JAK1JAK2TYK2HPGDS
SCHEMBL7843868 0.81 JAK3 (0.54) JAK3JAK1JAK2TYK2HTR1A
SCHEMBL7855280 0.81 JAK3 (0.54) JAK3JAK1JAK2TYK2HTR1A

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
EP-1087970-A1 PYRROLO 2,3-d]PYRIMIDINE COMPOUNDS Pfizer Products Inc. (US) 2001-04-04 EP disclosed
WO-1999065908-A1 PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS PFIZER PRODUCTS INC. (US) 1999-12-23 WO disclosed