SCHEMBL30550645

SCHEMBL30550645

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

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 20/20 0.55
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ TNKS O95271 1/20 0.34
▸ PARP14 Q460N5 1/20 0.34
▸ PARP10 Q53GL7 1/20 0.34
▸ PARP12 Q9H0J9 1/20 0.34
▸ TNKS2 Q9H2K2 1/20 0.34
▸ PARP11 Q9NR21 1/20 0.34
▸ PARP2 Q9UGN5 1/20 0.34

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
SCHEMBL25320831 1.00 TIPARP (0.55) TIPARPHDAC1HDAC6TNKSPARP14
SCHEMBL25320827 1.00 TIPARP (0.55) TIPARPHDAC1HDAC6TNKSPARP14
SCHEMBL25320398 0.92 TIPARP (0.60) TIPARPHDAC1HDAC6
SCHEMBL30550598 0.92 TIPARP (0.57) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL25320413 0.92 TIPARP (0.57) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL25320395 0.92 TIPARP (0.60) TIPARPHDAC1HDAC6
SCHEMBL25320418 0.92 TIPARP (0.57) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL25321104 0.91 TIPARP (0.58) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL25321110 0.91 TIPARP (0.58) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL30550749 0.91 TIPARP (0.58) TIPARPTNKSPARP14PARP10PARP12

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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