SCHEMBL25908352

SCHEMBL25908352

COc1cnc(-c2cc3ccn(CCCCCOC(F)F)c(=O)c3cc2F)nc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 6/20 0.49
▸ TNF P01375 7/20 0.38
▸ GRM2 Q14416 2/20 0.33
▸ PSMB1 P20618 1/20 0.33
▸ PSMB5 P28074 1/20 0.33
▸ CNR2 P34972 1/20 0.32

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
SCHEMBL25901729 0.87 TIPARP (0.54) TIPARPTNF
SCHEMBL25898605 0.84 TIPARP (0.49) TIPARPTNFGRM2
SCHEMBL25908010 0.82 TIPARP (0.65) TIPARPTNF
SCHEMBL25898391 0.78 TIPARP (0.46) TIPARPTNFGRM2
SCHEMBL25908307 0.78 BRD9 (0.38) TIPARP
SCHEMBL26785815 0.77 TNF (0.43) TIPARPTNFGRM2PSMB5CNR2
SCHEMBL25902196 0.76 TIPARP (0.46) TIPARPTNF
SCHEMBL25898542 0.76 TIPARP (0.48) TIPARPTNFGRM2CNR2
SCHEMBL25907205 0.76 TIPARP (0.47) TIPARPTNFGRM2
SCHEMBL25897832 0.75 TIPARP (0.49) TIPARPTNFGRM2CNR2

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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