SCHEMBL7842637

SCHEMBL7842637

OCCC1CCCCN1.OCCC1CCCCN1c1ncnc2[nH]ccc12

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 15/20 0.54
▸ JAK1 P23458 3/20 0.49
▸ AKT2 P31751 2/20 0.43
▸ GSK3B P49841 2/20 0.43
▸ KIT P10721 1/20 0.42
▸ DOT1L Q8TEK3 1/20 0.42
▸ LCK P06239 1/20 0.42
▸ HTR2C P28335 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
SCHEMBL3956020 0.91 JAK3 (0.65) JAK3JAK1AKT2GSK3BKIT
SCHEMBL7842635 0.86 JAK3 (0.53) JAK3JAK1AKT2GSK3BLCK
SCHEMBL6742185 0.82 JAK3 (0.67) JAK3JAK1AKT2GSK3BKIT
SCHEMBL3959625 0.80 JAK3 (0.68) JAK3JAK1AKT2GSK3BKIT
SCHEMBL6743217 0.79 JAK3 (0.67) JAK3JAK1AKT2GSK3BKIT
SCHEMBL3951466 0.78 JAK3 (0.71) JAK3JAK1AKT2GSK3BKIT
SCHEMBL7842640 0.77 JAK3 (0.50) JAK3JAK1AKT2GSK3BKIT
SCHEMBL7852410 0.77 JAK3 (0.55) JAK3JAK1AKT2GSK3BKIT
SCHEMBL7852396 0.76 JAK3 (0.59) JAK3JAK1AKT2GSK3BKIT
SCHEMBL7852560 0.74 JAK3 (0.84) JAK3JAK1AKT2GSK3BKIT

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-1087971-A1 PYRROLO 2,3-d]PYRIMIDINE COMPOUNDS Pfizer Products Inc. (US) 2001-04-04 — — EP disclosed
WO-1999065909-A1 PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS PFIZER PRODUCTS INC. (US) 1999-12-23 — — WO disclosed
Send feedback