SCHEMBL25899141

SCHEMBL25899141

CC(C)(O)CCCCn1ccc2cc(-c3ncc(C(F)(F)F)cn3)c(F)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 6/20 0.47
▸ TNF P01375 5/20 0.35
▸ CHEK1 O14757 3/20 0.33
▸ FLT3 P36888 3/20 0.33
▸ SIK1 P57059 1/20 0.33
▸ SIK2 Q9H0K1 1/20 0.33
▸ SIK3 Q9Y2K2 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ DDR1 Q08345 2/20 0.33
▸ PTGS2 P35354 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ HTR2A P28223 1/20 0.31

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
SCHEMBL25907789 0.89 TIPARP (0.46) TIPARPTNFFLT3SIK1SIK2
SCHEMBL26787784 0.89 TIPARP (0.44) TIPARPTNFSIK1SIK2SIK3
SCHEMBL25897832 0.88 TIPARP (0.49) TIPARPTNFSIK1SIK2SIK3
SCHEMBL25898542 0.87 TIPARP (0.48) TIPARPTNFSIK1SIK2SIK3
SCHEMBL26793446 0.87 TIPARP (0.49) TIPARPTNFDDR1
SCHEMBL25900117 0.85 TIPARP (0.46) TIPARPTNFDDR1
SCHEMBL25908053 0.85 TIPARP (0.45) TIPARPTNFSIK1SIK2SIK3
SCHEMBL25899151 0.85 TIPARP (0.46) TIPARPTNF
SCHEMBL25899525 0.84 TIPARP (0.44) TIPARPCHEK1FLT3SIK1SIK2
SCHEMBL25902196 0.83 TIPARP (0.46) TIPARPTNFCHEK1FLT3SIK1

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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