SCHEMBL17067975

SCHEMBL17067975

CCC(C)N1CC2CCC(C1)N2C(=O)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 5/20 0.37
DPP4 P27487 5/20 0.37
DPP7 Q9UHL4 3/20 0.37
ACHE P22303 1/20 0.33
TSHR P16473 1/20 0.32
DPP9 Q86TI2 2/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31

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
SCHEMBL10283700 0.85 HRH3 (0.35) DPP8DPP4DPP7ACHEJAK2
SCHEMBL20682285 0.80 DPP4 (0.32) DPP8DPP4DPP7JAK2JAK1
SCHEMBL10196653 0.73 HSD11B1 (0.33) JAK2JAK1TYK2JAK3
SCHEMBL17067967 0.73 LMNA (0.34)
SCHEMBL20071281 0.73 CYP2D6 (0.30)
SCHEMBL18500425 0.72 CHRM2 (0.33) DPP8DPP4DPP7
SCHEMBL14748116 0.71 KDM4E (0.46) ACHE
SCHEMBL17067968 0.71 SMN1; SMN2 (0.36) DPP8DPP4DPP7ACHE
SCHEMBL23283026 0.70 HRH3 (0.33)
SCHEMBL22030752 0.69 RECQL (0.44) TSHR

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
EP-2389372-B1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS INC (US) 2015-09-09 EP disclosed