SCHEMBL30853339

SCHEMBL30853339

CS(=O)(=O)N1CCC(n2ncc3c(=O)[nH]ccc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.49
JAK1 P23458 8/20 0.49
JAK3 P52333 5/20 0.49
ATR Q13535 4/20 0.41
PDE9A O76083 2/20 0.41
IDO1 P14902 1/20 0.38

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
SCHEMBL30853311 0.78 PDE9A (0.47) JAK2JAK1JAK3PDE9A
SCHEMBL31359330 0.74 JAK1 (0.43) JAK2JAK1JAK3PDE9A
SCHEMBL12385233 0.69 JAK1 (0.69) JAK2JAK1JAK3
SCHEMBL31359322 0.68 TNKS (0.46) JAK2JAK1JAK3PDE9A
SCHEMBL24968162 0.66 ALDH1A1 (0.50)
SCHEMBL2104894 0.66 JAK2 (1.00) JAK2JAK1JAK3
SCHEMBL9953321 0.66 JAK1 (0.70) JAK2JAK1JAK3
SCHEMBL31359324 0.66 ALDH1A1 (0.37) JAK2JAK1JAK3
SCHEMBL22518623 0.66 LRRK2 (0.47) JAK1ATRIDO1
SCHEMBL12384975 0.65 JAK1 (1.00) JAK2JAK1JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117651701-A Novel substituted bicyclic aza heterocycles as SOS1 inhibitors 唯久生物技术(苏州)有限公司 2024-03-05 CN disclosed