SCHEMBL30550644

SCHEMBL30550644

C[C@@H](CCCn1ccc2cc(-c3ncc(C(F)(F)F)cn3)ccc2c1=O)Nc1cnn(COCC[Si](C)(C)C)c(=O)c1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 15/20 0.45
▸ DGAT1 O75907 1/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ PARP14 Q460N5 1/20 0.31
▸ PARP16 Q8N5Y8 1/20 0.31
▸ PARP12 Q9H0J9 1/20 0.31
▸ TNKS2 Q9H2K2 1/20 0.31
▸ PARP11 Q9NR21 1/20 0.31
▸ PARP2 Q9UGN5 1/20 0.31
▸ PARP4 Q9UKK3 1/20 0.31
▸ PARP3 Q9Y6F1 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
SCHEMBL25320149 1.00 TIPARP (0.45) TIPARPDGAT1PARP1CYP2C9PARP14
SCHEMBL25320156 1.00 TIPARP (0.45) TIPARPDGAT1PARP1CYP2C9PARP14
SCHEMBL25321245 0.92 TIPARP (0.41) TIPARPDGAT1GRM2
SCHEMBL30550711 0.92 TIPARP (0.41) TIPARPDGAT1GRM2
SCHEMBL30550713 0.92 TIPARP (0.41) TIPARPDGAT1GRM2
SCHEMBL25321909 0.89 TIPARP (0.36) TIPARPDGAT1PARP1CYP2C9PARP14
SCHEMBL31362881 0.89 TIPARP (0.34) TIPARP
SCHEMBL30550610 0.89 TIPARP (0.36) TIPARPDGAT1PARP1CYP2C9PARP14
SCHEMBL25321896 0.89 TIPARP (0.36) TIPARPDGAT1PARP1CYP2C9PARP14
SCHEMBL31058417 0.86 TIPARP (0.41) TIPARPDGAT1

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 2 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
WO-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 — — WO disclosed
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