SCHEMBL25908053

SCHEMBL25908053

CN(C)CCCCCn1ccc2cc(-c3ncc(C(F)(F)F)cn3)c(F)cc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 6/20 0.45
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ TNF P01375 3/20 0.33
▸ SIK1 P57059 1/20 0.33
▸ SIK2 Q9H0K1 1/20 0.33
▸ SIK3 Q9Y2K2 1/20 0.33
▸ XDH P47989 1/20 0.33
▸ RAD52 P43351 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ MPO P05164 2/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ KDM1A O60341 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
SCHEMBL25898542 0.89 TIPARP (0.48) TIPARPTNFSIK1SIK2SIK3
SCHEMBL25897832 0.88 TIPARP (0.49) TIPARPTNFSIK1SIK2SIK3
SCHEMBL25907789 0.87 TIPARP (0.46) TIPARPHTR2ATNFSIK1SIK2
SCHEMBL26793446 0.87 TIPARP (0.49) TIPARPTNF
SCHEMBL25902196 0.85 TIPARP (0.46) TIPARPTNFSIK1SIK2SIK3
SCHEMBL25900117 0.85 TIPARP (0.46) TIPARPTNF
SCHEMBL25899141 0.85 TIPARP (0.47) TIPARPHTR2ATNFSIK1SIK2
SCHEMBL25907205 0.85 TIPARP (0.47) TIPARPHTR2ATNFSIK1SIK2
SCHEMBL25899525 0.84 TIPARP (0.44) TIPARPHTR2ASIK1SIK2SIK3
SCHEMBL26787784 0.83 TIPARP (0.44) TIPARPHTR2ATNFSIK1SIK2

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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