SCHEMBL30550884

SCHEMBL30550884

C[C@H](N)CCCn1ccc2cc(-c3ncc(C(F)(F)F)cn3)c(F)cc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 6/20 0.54
▸ TNF P01375 5/20 0.34
▸ SIK1 P57059 1/20 0.33
▸ SIK2 Q9H0K1 1/20 0.33
▸ SIK3 Q9Y2K2 1/20 0.33
▸ DDR1 Q08345 2/20 0.33
▸ HTR2A P28223 4/20 0.32
▸ HTR2C P28335 2/20 0.32
▸ HTR1A P08908 2/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ GRM2 Q14416 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
SCHEMBL25320871 1.00 TIPARP (0.54) TIPARPTNFSIK1SIK2SIK3
SCHEMBL25320875 1.00 TIPARP (0.54) TIPARPTNFSIK1SIK2SIK3
SCHEMBL25322613 0.89 TIPARP (0.49) TIPARPTNFSIK1SIK2SIK3
SCHEMBL30550829 0.89 TIPARP (0.49) TIPARPTNFSIK1SIK2SIK3
SCHEMBL25322618 0.89 TIPARP (0.49) TIPARPTNFSIK1SIK2SIK3
SCHEMBL30550877 0.88 TIPARP (0.51) TIPARPTNFSIK1SIK2SIK3
SCHEMBL25324753 0.88 TIPARP (0.51) TIPARPTNFSIK1SIK2SIK3
SCHEMBL25324750 0.88 TIPARP (0.51) TIPARPTNFSIK1SIK2SIK3
SCHEMBL25900544 0.88 TIPARP (0.48) TIPARPTNFSIK1SIK2SIK3
SCHEMBL25323234 0.87 TIPARP (0.48) TIPARPHTR2AHTR1ADRD2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4469448-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2024-12-04 — — EP disclosed
CN-118591537-A PARP7 inhibitors 吉利德科学公司 2024-09-03 — — CN disclosed
WO-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 — — WO disclosed
Send feedback