SCHEMBL30550828

SCHEMBL30550828

O=c1[nH]ncc(N[C@H](CCCn2ccc3cc(-c4ncc(C(F)(F)F)cn4)c(F)cc3c2=O)C2CC2)c1C(F)(F)F

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 19/20 0.66
▸ PARP1 P09874 1/20 0.38
▸ TNKS O95271 1/20 0.38
▸ PARP14 Q460N5 1/20 0.38
▸ PARP10 Q53GL7 1/20 0.38
▸ PARP12 Q9H0J9 1/20 0.38
▸ TNKS2 Q9H2K2 1/20 0.38
▸ PARP11 Q9NR21 1/20 0.38
▸ PARP2 Q9UGN5 1/20 0.38

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
SCHEMBL25319773 1.00 TIPARP (0.66) TIPARPPARP1TNKSPARP14PARP10
SCHEMBL25319771 1.00 TIPARP (0.66) TIPARPPARP1TNKSPARP14PARP10
SCHEMBL25320382 0.90 TIPARP (0.76) TIPARPPARP1TNKSPARP14PARP10
SCHEMBL30550831 0.90 TIPARP (0.76) TIPARPPARP1TNKSPARP14PARP10
SCHEMBL25320388 0.90 TIPARP (0.76) TIPARPPARP1TNKSPARP14PARP10
SCHEMBL31362738 0.89 TIPARP (0.69) TIPARPPARP1PARP2
SCHEMBL26658778 0.89 TIPARP (0.69) TIPARPPARP1PARP2
SCHEMBL25900964 0.89 TIPARP (0.69) TIPARPPARP1PARP2
SCHEMBL30550712 0.89 TIPARP (0.79) TIPARPPARP1TNKSPARP14PARP10
SCHEMBL25321882 0.89 TIPARP (0.79) TIPARPPARP1TNKSPARP14PARP10

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 5 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
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
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