SCHEMBL25901729

SCHEMBL25901729

O=c1c2cc(F)c(-c3ncc(C(F)(F)F)cn3)cc2ccn1CCCCCOC(F)F

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 6/20 0.54
▸ RXRA P19793 4/20 0.33
▸ GRIN1 Q05586 4/20 0.33
▸ GRIN2B Q13224 4/20 0.33
▸ TNF P01375 3/20 0.32
▸ SIK1 P57059 1/20 0.31
▸ SIK2 Q9H0K1 1/20 0.31
▸ SIK3 Q9Y2K2 1/20 0.31
▸ HTR1A P08908 2/20 0.30
▸ HTR2A P28223 2/20 0.30
▸ DRD2 P14416 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
SCHEMBL25907205 0.89 TIPARP (0.47) TIPARPTNFSIK1SIK2SIK3
SCHEMBL25898542 0.88 TIPARP (0.48) TIPARPTNFSIK1SIK2SIK3
SCHEMBL25908352 0.87 TIPARP (0.49) TIPARPTNF
SCHEMBL25902196 0.87 TIPARP (0.46) TIPARPTNFSIK1SIK2SIK3
SCHEMBL25908010 0.87 TIPARP (0.65) TIPARPTNF
SCHEMBL25897832 0.87 TIPARP (0.49) TIPARPTNFSIK1SIK2SIK3
SCHEMBL25907789 0.86 TIPARP (0.46) TIPARPTNFSIK1SIK2SIK3
SCHEMBL26793446 0.86 TIPARP (0.49) TIPARPTNF
SCHEMBL25908053 0.83 TIPARP (0.45) TIPARPTNFSIK1SIK2SIK3
SCHEMBL25900117 0.81 TIPARP (0.46) TIPARPTNF

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