SCHEMBL12069370

SCHEMBL12069370

CC1CCC(n2c(=O)[nH]c3cnc(-c4cnc5ccc(F)cn45)nc32)CC1

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.83
JAK3 P52333 19/20 0.83
JAK1 P23458 13/20 0.83
EIF2AK4 Q9P2K8 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
SCHEMBL1693758 0.91 JAK2 (0.84) JAK2JAK3JAK1
SCHEMBL1694495 0.91 JAK2 (1.00) JAK2JAK3JAK1
SCHEMBL1694497 0.91 JAK2 (1.00) JAK2JAK3JAK1
SCHEMBL1694331 0.91 JAK2 (0.83) JAK2JAK3JAK1
SCHEMBL1694328 0.91 JAK2 (0.83) JAK2JAK3JAK1
SCHEMBL14849917 0.91 JAK2 (1.00) JAK2JAK3JAK1
SCHEMBL1693019 0.90 JAK2 (0.82) JAK2JAK3JAK1
SCHEMBL1693649 0.90 JAK2 (0.81) JAK2JAK3JAK1
SCHEMBL1694324 0.89 JAK2 (1.00) JAK2JAK3JAK1
SCHEMBL1693076 0.88 JAK2 (0.82) JAK2JAK3JAK1EIF2AK4

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
WO-2011157397-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-12-22 WO disclosed