SCHEMBL29404199

SCHEMBL29404199

O=CN1CCn2nc(C(F)(F)F)nc2C1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.39
DPP8 Q6V1X1 3/20 0.39
DPP7 Q9UHL4 1/20 0.39
NOTUM Q6P988 1/20 0.34
PARP1 P09874 1/20 0.34
MYT1 Q01538 2/20 0.34

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
SCHEMBL17538410 0.75 DPP4 (0.39) DPP4DPP8DPP7NOTUMPARP1
SCHEMBL3131535 0.73 DPP4 (0.51) DPP4DPP8DPP7NOTUMPARP1
SCHEMBL13562737 0.72 DPP4 (0.37) DPP4DPP8DPP7NOTUMPARP1
SCHEMBL14970436 0.72 DPP4 (0.50) DPP4DPP8DPP7NOTUMPARP1
SCHEMBL30595341 0.72 DPP4 (0.53) DPP4DPP8DPP7NOTUMPARP1
SCHEMBL12820943 0.69 DPP4 (0.55) DPP4DPP8DPP7NOTUMPARP1
SCHEMBL13194709 0.69 DPP4 (0.55) DPP4DPP8DPP7NOTUMPARP1
SCHEMBL22590473 0.69 DPP4 (0.38) DPP4DPP8DPP7NOTUMPARP1
SCHEMBL22968395 0.68 DPP4 (0.42) DPP4DPP8DPP7NOTUMPARP1
SCHEMBL3133282 0.67 DPP4 (0.46) DPP4DPP8DPP7NOTUMPARP1

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-2022036940-A1 PREPARATION METHOD FOR FLUZOPARIB 苏州富士莱医药股份有限公司 2022-02-24 WO disclosed