SCHEMBL18970845

SCHEMBL18970845

CC(Nc1nc2c(OCC3(C(F)(F)F)CC3)cccn2n1)C1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 18/20 0.45
PTK2 Q05397 18/20 0.45
JAK2 O60674 17/20 0.45
GPR119 Q8TDV5 2/20 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
SCHEMBL18970844 0.82 PSEN1 (0.52) JAK3PTK2JAK2
SCHEMBL22428659 0.74 PSEN1 (0.41) JAK3PTK2JAK2
SCHEMBL22916557 0.71 PSEN1 (0.52) JAK3PTK2JAK2
SCHEMBL18970855 0.69 PSEN1 (0.66) JAK3PTK2JAK2
SCHEMBL18970917 0.69 PSEN1 (0.66) JAK3PTK2JAK2
SCHEMBL21726900 0.69 PSEN1 (0.65) JAK3PTK2JAK2
SCHEMBL18970963 0.69 PSEN1 (0.65) JAK3PTK2JAK2
SCHEMBL18971419 0.68 PSEN1 (0.51) JAK3PTK2JAK2
SCHEMBL18636423 0.68 JAK3 (0.53) JAK3PTK2JAK2
SCHEMBL18970467 0.67 PSEN1 (0.34)

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-2017097728-A1 BRIDGED PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-06-15 WO disclosed