SCHEMBL25899110

SCHEMBL25899110

CCCCCCn1ccc2cc(-c3ncc(C#N)c(N)n3)c(F)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 6/20 0.47
▸ HSD17B10 Q99714 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GRM2 Q14416 7/20 0.39
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ TNF P01375 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ TLR8 Q9NR97 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
SCHEMBL26789113 0.99 TIPARP (0.48) TIPARPHSD17B10KDM4EMEN1GAA
SCHEMBL25899897 0.88 TIPARP (0.51) TIPARPKDM4EL3MBTL1GRM2HDAC3
SCHEMBL25898159 0.85 TIPARP (0.43) TIPARPGRM2HDAC3HDAC1HDAC6
SCHEMBL26787748 0.85 TIPARP (0.59) TIPARPKDM4EHTTGRM2HDAC3
SCHEMBL25899977 0.85 HSD17B10 (0.40) TIPARPHSD17B10KDM4EMEN1GAA
SCHEMBL25899908 0.84 TIPARP (0.51) TIPARPKDM4EL3MBTL1GRM2HDAC3
SCHEMBL25899853 0.84 TIPARP (0.60) TIPARPKDM4EHTTGRM2HDAC3
SCHEMBL25899875 0.84 TIPARP (0.50) TIPARPGRM2TNFTLR8
SCHEMBL25898391 0.82 TIPARP (0.46) TIPARPKDM4EL3MBTL1GRM2HDAC3
SCHEMBL25898542 0.79 TIPARP (0.48) TIPARPKDM4ETSHRHTTL3MBTL1

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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