SCHEMBL7851091

SCHEMBL7851091

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

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 11/20 0.48
▸ JAK1 P23458 3/20 0.41
▸ DOT1L Q8TEK3 2/20 0.39
▸ LCK P06239 1/20 0.39
▸ BTK Q06187 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ AKT2 P31751 2/20 0.38
▸ GSK3B P49841 2/20 0.38
▸ KIT P10721 1/20 0.37

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
SCHEMBL7851085 0.79 JAK3 (0.50) JAK3JAK1DOT1LLCKBTK
SCHEMBL4053733 0.77 JAK3 (0.67) JAK3JAK1DOT1LLCKHTR2C
SCHEMBL3953395 0.75 JAK3 (0.56) JAK3JAK1DOT1LLCKHTR2C
SCHEMBL7843442 0.73 LCK (0.50) JAK3JAK1LCKHTR2CAKT2
SCHEMBL7842635 0.71 JAK3 (0.53) JAK3JAK1LCKAKT2GSK3B
SCHEMBL7842640 0.71 JAK3 (0.50) JAK3JAK1DOT1LAKT2GSK3B
SCHEMBL31706717 0.71 JAK3 (0.67) JAK3JAK1DOT1LLCKHTR2C
SCHEMBL3539476 0.71 JAK3 (0.60) JAK3JAK1DOT1LLCKAKT2
SCHEMBL3959426 0.71 JAK3 (0.56) JAK3JAK1DOT1LLCKHTR2C
SCHEMBL6743217 0.69 JAK3 (0.67) JAK3JAK1DOT1LLCKHTR2C

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