SCHEMBL30550908

SCHEMBL30550908

O=c1[nH]ncc(NCCCCn2ccc3cc(-c4ncc(C(F)(F)F)cn4)c(F)c(F)c3c2=O)c1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 19/20 0.48
▸ PARP1 P09874 2/20 0.32
▸ PARP14 Q460N5 2/20 0.32
▸ PARP12 Q9H0J9 2/20 0.32
▸ TNKS2 Q9H2K2 2/20 0.32
▸ PARP11 Q9NR21 2/20 0.32
▸ PARP2 Q9UGN5 2/20 0.32
▸ TNKS O95271 1/20 0.32
▸ PARP10 Q53GL7 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ PARP16 Q8N5Y8 1/20 0.32
▸ PARP4 Q9UKK3 1/20 0.32
▸ PARP3 Q9Y6F1 1/20 0.32

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
SCHEMBL25317464 1.00 TIPARP (0.48) TIPARPPARP1PARP14PARP12TNKS2
SCHEMBL25901280 0.87 TIPARP (0.62) TIPARPPARP1PARP14PARP12TNKS2
SCHEMBL31362929 0.87 TIPARP (0.62) TIPARPPARP1PARP14PARP12TNKS2
SCHEMBL25899452 0.87 TIPARP (0.62) TIPARPPARP1PARP14PARP12TNKS2
SCHEMBL25898099 0.87 TIPARP (0.62) TIPARPPARP1PARP14PARP12TNKS2
SCHEMBL25321114 0.85 TIPARP (0.55) TIPARPPARP1PARP14PARP12TNKS2
SCHEMBL30550789 0.85 TIPARP (0.58) TIPARPPARP1PARP14PARP12TNKS2
SCHEMBL25320380 0.85 TIPARP (0.58) TIPARPPARP1PARP14PARP12TNKS2
SCHEMBL30550722 0.85 TIPARP (0.55) TIPARPPARP1PARP14PARP12TNKS2
SCHEMBL25320384 0.85 TIPARP (0.58) TIPARPPARP1PARP14PARP12TNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025024663-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2025-01-30 — — WO claimed
WO-2025024663-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2025-01-30 — — WO disclosed
EP-4469448-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2024-12-04 — — EP disclosed
WO-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 — — WO disclosed
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