SCHEMBL30550605

SCHEMBL30550605

COC[C@@H](CCCn1ccc2cc(-c3ncc(C(F)(F)F)cn3)c(F)cc2c1=O)NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 6/20 0.50
▸ SYK P43405 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ AAK1 Q2M2I8 1/20 0.33
▸ TNF P01375 4/20 0.32
▸ PSMB1 P20618 1/20 0.31
▸ PSMB5 P28074 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
SCHEMBL25320426 1.00 TIPARP (0.50) TIPARPSYKMAPTAAK1TNF
SCHEMBL25320428 1.00 TIPARP (0.50) TIPARPSYKMAPTAAK1TNF
SCHEMBL25319270 0.93 TIPARP (0.49) TIPARPAAK1TNFPSMB1PSMB5
SCHEMBL30550827 0.93 TIPARP (0.49) TIPARPAAK1TNFPSMB1PSMB5
SCHEMBL25319273 0.93 TIPARP (0.49) TIPARPAAK1TNFPSMB1PSMB5
SCHEMBL30550717 0.89 TIPARP (0.46) TIPARPTNFPSMB1PSMB5
SCHEMBL26782305 0.89 TIPARP (0.46) TIPARPTNFPSMB1PSMB5
SCHEMBL30550616 0.88 TIPARP (0.46) TIPARP
SCHEMBL25321386 0.88 TIPARP (0.46) TIPARP
SCHEMBL25321393 0.88 TIPARP (0.46) 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 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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