SCHEMBL25899875

SCHEMBL25899875

CCCCCn1ccc2cc(-c3ncc(OC)c(N)n3)c(F)cc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 6/20 0.50
▸ TNF P01375 8/20 0.44
▸ PSMB5 P28074 1/20 0.38
▸ PSMB2 P49721 1/20 0.38
▸ CNR2 P34972 2/20 0.37
▸ GRM2 Q14416 2/20 0.37
▸ TLR8 Q9NR97 1/20 0.36

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
SCHEMBL25900150 0.93 TIPARP (0.48) TIPARPTNFPSMB5PSMB2GRM2
SCHEMBL25899897 0.89 TIPARP (0.51) TIPARPTNFGRM2TLR8
SCHEMBL25899908 0.86 TIPARP (0.51) TIPARPTNFGRM2TLR8
SCHEMBL25899853 0.85 TIPARP (0.60) TIPARPTNFCNR2GRM2TLR8
SCHEMBL25899963 0.85 GRM2 (0.41) TIPARPTNFCNR2GRM2TLR8
SCHEMBL26789113 0.84 TIPARP (0.48) TIPARPTNFGRM2TLR8
SCHEMBL26787748 0.84 TIPARP (0.59) TIPARPTNFCNR2GRM2TLR8
SCHEMBL25900490 0.84 TIPARP (0.43) TIPARPTNFPSMB5PSMB2GRM2
SCHEMBL25899110 0.84 TIPARP (0.47) TIPARPTNFGRM2TLR8
SCHEMBL25898391 0.83 TIPARP (0.46) TIPARPTNFGRM2

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
Send feedback