SCHEMBL12904232

SCHEMBL12904232

CC1C[C@@H]2CC(Br)C[C@H](C1)[C@@H]2n1c(=O)[nH]c2cnc3[nH]cnc3c21

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.42
JAK3 P52333 19/20 0.42
JAK1 P23458 17/20 0.42
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33

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
SCHEMBL13674266 0.82 JAK2 (0.65) JAK2JAK3JAK1
SCHEMBL12876115 0.77 JAK2 (0.36) JAK2JAK3JAK1
SCHEMBL2104124 0.75 JAK2 (0.67) JAK2JAK3JAK1
SCHEMBL12888017 0.74 JAK2 (0.35) JAK2JAK3JAK1
SCHEMBL13398221 0.74 JAK2 (0.51) JAK2JAK3JAK1PIK3CAMTOR
SCHEMBL12876025 0.73 JAK2 (0.47) JAK2JAK3JAK1PIK3CAMTOR
SCHEMBL12876796 0.70 JAK2 (0.33) JAK2JAK3JAK1
SCHEMBL12888065 0.70 JAK2 (0.36) JAK2JAK3JAK1
SCHEMBL12904689 0.69 JAK2 (0.51) JAK2JAK3JAK1PIK3CAMTOR
SCHEMBL12888838 0.69 JAK2 (0.32) JAK2JAK3JAK1

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
US-7879844-B2 useful for treating or preventing diseases caused by undesirable cytokine signal transmission such as autoimmune diseases, inflammatory diseases, allergies, transplant rejection, multiple sclerosis, arthritis, psoriasis, asthma, dermatitis, Alzheimer's disease, atherosclerosis, cancer and leukemia ASTELLAS PHARMA INC. (JP) 2011-02-01 US disclosed