SCHEMBL25908010

SCHEMBL25908010

Nc1nc(-c2cc3ccn(CCCCCCOC(F)F)c(=O)c3cc2F)ncc1C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 6/20 0.65
▸ FLT3 P36888 4/20 0.34
▸ KIT P10721 2/20 0.34
▸ CHEK1 O14757 2/20 0.32
▸ TNF P01375 1/20 0.30

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
SCHEMBL26787748 0.89 TIPARP (0.59) TIPARPFLT3KITCHEK1TNF
SCHEMBL25899853 0.88 TIPARP (0.60) TIPARPFLT3KITCHEK1TNF
SCHEMBL25901729 0.87 TIPARP (0.54) TIPARPTNF
SCHEMBL25900854 0.84 TIPARP (0.56) TIPARPFLT3KITCHEK1
SCHEMBL25900139 0.83 TIPARP (0.56) TIPARPFLT3KITCHEK1
SCHEMBL25908352 0.82 TIPARP (0.49) TIPARPTNF
SCHEMBL25321465 0.81 TIPARP (0.90) TIPARP
SCHEMBL30550824 0.81 TIPARP (0.90) TIPARP
SCHEMBL25321469 0.81 TIPARP (0.90) TIPARP
SCHEMBL25900208 0.80 TIPARP (0.54) TIPARPFLT3KITCHEK1

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-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 — — WO disclosed
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