SCHEMBL7850562

SCHEMBL7850562

CC1CCC(C)(C)CC1N(C)c1ncnc2[nH]ccc12.CNC1CC(C)(C)CCC1C

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 0.61
JAK1 P23458 9/20 0.51
JAK2 O60674 6/20 0.50
TYK2 P29597 3/20 0.49
PKN2 Q16513 1/20 0.48
AURKB Q96GD4 1/20 0.48

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
SCHEMBL3536270 0.93 JAK3 (0.69) JAK3JAK1JAK2TYK2PKN2
SCHEMBL3536474 0.83 JAK3 (0.66) JAK3JAK1JAK2TYK2PKN2
SCHEMBL7855293 0.80 JAK3 (0.84) JAK3JAK1JAK2TYK2
SCHEMBL3532556 0.76 JAK3 (1.00) JAK3JAK1JAK2TYK2PKN2
SCHEMBL12148934 0.76 JAK3 (1.00) JAK3JAK1JAK2TYK2
SCHEMBL3539763 0.76 JAK3 (1.00) JAK3JAK1JAK2TYK2
SCHEMBL18134012 0.76 JAK3 (1.00) JAK3JAK1JAK2TYK2
SCHEMBL3542477 0.74 JAK3 (0.73) JAK3JAK1JAK2TYK2
SCHEMBL5768408 0.74 JAK3 (0.73) JAK3JAK1JAK2TYK2PKN2
SCHEMBL3540637 0.74 JAK3 (0.82) JAK3JAK1JAK2TYK2

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