SCHEMBL30550627

SCHEMBL30550627

C[C@@H](CCCn1ccc2cc(-c3ccc(OC(F)F)cn3)cc(F)c2c1=O)Nc1cn[nH]c(=O)c1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 20/20 0.53
▸ CBLB Q13191 1/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35

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
SCHEMBL25319590 1.00 TIPARP (0.53) TIPARPCBLBHDAC1HDAC6
SCHEMBL25319592 1.00 TIPARP (0.53) TIPARPCBLBHDAC1HDAC6
SCHEMBL25319383 0.91 TIPARP (0.56) TIPARPCBLB
SCHEMBL25319387 0.91 TIPARP (0.56) TIPARPCBLB
SCHEMBL25324380 0.90 TIPARP (0.56) TIPARPCBLB
SCHEMBL25324377 0.90 TIPARP (0.56) TIPARPCBLB
SCHEMBL25320827 0.89 TIPARP (0.55) TIPARPHDAC1HDAC6
SCHEMBL25320831 0.89 TIPARP (0.55) TIPARPHDAC1HDAC6
SCHEMBL30550645 0.89 TIPARP (0.55) TIPARPHDAC1HDAC6
SCHEMBL25324315 0.88 TIPARP (0.54) TIPARP

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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