SCHEMBL25907789

SCHEMBL25907789

O=c1c2cc(F)c(-c3ncc(C(F)(F)F)cn3)cc2ccn1CCCCCC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 6/20 0.46
▸ SIK1 P57059 1/20 0.33
▸ SIK2 Q9H0K1 1/20 0.33
▸ SIK3 Q9Y2K2 1/20 0.33
▸ TNF P01375 4/20 0.32
▸ DRD2 P14416 4/20 0.32
▸ HTR1A P08908 3/20 0.32
▸ HTR2A P28223 3/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ KIT P10721 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ DRD3 P35462 2/20 0.31
▸ DRD5 P21918 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ DDR1 Q08345 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
SCHEMBL25898542 0.90 TIPARP (0.48) TIPARPSIK1SIK2SIK3TNF
SCHEMBL25899141 0.89 TIPARP (0.47) TIPARPSIK1SIK2SIK3TNF
SCHEMBL25897832 0.89 TIPARP (0.49) TIPARPSIK1SIK2SIK3TNF
SCHEMBL26793446 0.88 TIPARP (0.49) TIPARPTNFKDM4ELMNAMAPT
SCHEMBL26787784 0.88 TIPARP (0.44) TIPARPSIK1SIK2SIK3TNF
SCHEMBL25908053 0.87 TIPARP (0.45) TIPARPSIK1SIK2SIK3TNF
SCHEMBL25907205 0.87 TIPARP (0.47) TIPARPSIK1SIK2SIK3TNF
SCHEMBL25902196 0.86 TIPARP (0.46) TIPARPSIK1SIK2SIK3TNF
SCHEMBL25901729 0.86 TIPARP (0.54) TIPARPSIK1SIK2SIK3TNF
SCHEMBL25900117 0.85 TIPARP (0.46) TIPARPTNFLMNASMN1; SMN2DDR1

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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