SCHEMBL3953395

SCHEMBL3953395

OC(C1CCCN1)C(O)C1CCCN1c1ncnc2[nH]ccc12

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 13/20 0.56
▸ JAK1 P23458 2/20 0.49
▸ DOT1L Q8TEK3 2/20 0.47
▸ AKT2 P31751 2/20 0.45
▸ GSK3B P49841 2/20 0.45
▸ KIT P10721 1/20 0.45
▸ LCK P06239 1/20 0.44
▸ HTR2C P28335 1/20 0.44

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
SCHEMBL3959426 0.95 JAK3 (0.56) JAK3JAK1DOT1LAKT2GSK3B
SCHEMBL31706717 0.81 JAK3 (0.67) JAK3JAK1DOT1LAKT2GSK3B
SCHEMBL7851091 0.75 JAK3 (0.48) JAK3JAK1DOT1LAKT2GSK3B
SCHEMBL7842640 0.73 JAK3 (0.50) JAK3JAK1DOT1LAKT2GSK3B
SCHEMBL7842635 0.73 JAK3 (0.53) JAK3JAK1AKT2GSK3BLCK
SCHEMBL10169662 0.73 JAK3 (0.67) JAK3JAK1DOT1LAKT2GSK3B
SCHEMBL20582811 0.73 JAK3 (0.67) JAK3JAK1DOT1LAKT2GSK3B
SCHEMBL10170240 0.73 JAK3 (0.67) JAK3JAK1DOT1LAKT2GSK3B
SCHEMBL15208683 0.73 JAK3 (0.67) JAK3JAK1DOT1LAKT2GSK3B
SCHEMBL10169663 0.73 JAK3 (0.67) JAK3JAK1DOT1LAKT2GSK3B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569569-B2 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. (US) 2009-08-04 — — US disclosed
EP-1087971-B1 PYRROLO 2,3-d]PYRIMIDINE COMPOUNDS PFIZER PROD INC (US) 2004-07-07 — — EP disclosed
US-6635762-B1 Protein tyrosine kinase or Janus Kinase 3 inhibitors; immunosuppressants PFIZER INC. 2003-10-21 — — US disclosed
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
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