SCHEMBL7848314

SCHEMBL7848314

CN(c1ncnc2[nH]ccc12)C1CCc2ccccc21.CNC1CCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 15/20 0.51
JAK1 P23458 12/20 0.51
JAK2 O60674 9/20 0.50
PDPK1 O15530 1/20 0.49
TYK2 P29597 6/20 0.46

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
SCHEMBL3533461 0.93 JAK3 (0.58) JAK3JAK1JAK2TYK2
SCHEMBL7848310 0.86 JAK3 (0.51) JAK3JAK1JAK2TYK2
SCHEMBL3535946 0.78 JAK3 (0.54) JAK3JAK1JAK2TYK2
SCHEMBL3530525 0.76 JAK1 (0.67) JAK3JAK1JAK2TYK2
SCHEMBL7848307 0.75 PDPK1 (0.48) JAK3JAK1JAK2PDPK1TYK2
SCHEMBL6746641 0.73 AURKA (0.57) JAK3JAK1JAK2TYK2
SCHEMBL193515 0.73 AURKA (0.57) JAK3JAK1JAK2TYK2
SCHEMBL61508 0.70 PDPK1 (1.00) PDPK1
SCHEMBL61509 0.70 PDPK1 (1.00) PDPK1
SCHEMBL2465738 0.70 PDPK1 (1.00) PDPK1

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