SCHEMBL22449698

SCHEMBL22449698

CN1CCC(Oc2cc(CN3CC(O)C3)cc(C(F)(F)F)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 14/20 0.48
LOX P28300 4/20 0.46
AXL P30530 2/20 0.45
TYRO3 Q06418 2/20 0.45
MERTK Q12866 2/20 0.45
MET P08581 1/20 0.40
LIPE Q05469 1/20 0.35
KHK P50053 1/20 0.35

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
SCHEMBL8546451 0.85 LOXL2 (0.45) LOXL2LOXAXLTYRO3MERTK
SCHEMBL25487504 0.83 LOXL2 (0.48) LOXL2LOXMERTKMETKHK
SCHEMBL22622482 0.82 LOXL2 (0.60) LOXL2LOXMET
SCHEMBL23129193 0.82 AXL (0.49) LOXL2LOXAXLTYRO3MERTK
SCHEMBL18236180 0.81 TYRO3 (0.48) LOXL2LOXAXLTYRO3MERTK
SCHEMBL22449871 0.80 AXL (0.48) LOXL2LOXAXLTYRO3MERTK
SCHEMBL24268229 0.80 AXL (0.48) LOXL2LOXAXLTYRO3MERTK
SCHEMBL27315685 0.79 AXL (0.38) LOXL2LOXAXLTYRO3MERTK
SCHEMBL22449715 0.78 LOXL2 (0.47) LOXL2LOXAXLTYRO3MERTK
SCHEMBL22449699 0.77 LOXL2 (0.46) LOXL2LOXAXLMERTKMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4183789-A1 SALTS OF PI3K INHIBITOR AND PROCESSES FOR THEIR PREPARATION Incyte Holdings Corporation (US) 2023-05-24 EP disclosed
EP-3129021-B1 TREATMENT OF B-CELL MALIGNANCIES BY A COMBINATION JAK AND PI3K INHIBITOR INCYTE CORP (US) 2020-09-23 EP disclosed