SCHEMBL20111630

SCHEMBL20111630

CC1=CCN(S(=O)(=O)C2CCN(C(C)C)C2)CC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
PIK3CA P42336 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 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
SCHEMBL20111728 0.90 LMNA (0.35) LMNAGAA
SCHEMBL17888259 0.80 JAK1 (0.36) JAK1LMNA
SCHEMBL17888199 0.77 CHRM4 (0.33) JAK1LMNA
SCHEMBL17888250 0.77 CHRM4 (0.35) JAK1LMNA
SCHEMBL20111633 0.76 PIK3CA (0.32) JAK2JAK1PIK3CA
SCHEMBL20111631 0.74 PIK3CA (0.32) JAK2JAK1PIK3CA
SCHEMBL21732946 0.72 LMNA (0.30) LMNAGAA
SCHEMBL20111628 0.71 MCOLN3 (0.40) JAK2JAK1PIK3CALMNA
SCHEMBL20111632 0.71 JAK2 (0.32) JAK2JAK1PIK3CALMNAGAA
SCHEMBL17888204 0.71 NAMPT (0.44) LMNAGAA

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-2018078360-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY E-THERAPEUTICS PLC (GB) 2018-05-03 WO disclosed