SCHEMBL30550877

SCHEMBL30550877

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

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 6/20 0.51
▸ TNF P01375 8/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SIK1 P57059 1/20 0.31
▸ SIK2 Q9H0K1 1/20 0.31
▸ SIK3 Q9Y2K2 1/20 0.31
▸ SYK P43405 1/20 0.31
▸ GRM2 Q14416 1/20 0.30

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
SCHEMBL25324750 1.00 TIPARP (0.51) TIPARPTNFMAPTSIK1SIK2
SCHEMBL25324753 1.00 TIPARP (0.51) TIPARPTNFMAPTSIK1SIK2
SCHEMBL25322618 0.89 TIPARP (0.49) TIPARPTNFSIK1SIK2SIK3
SCHEMBL30550829 0.89 TIPARP (0.49) TIPARPTNFSIK1SIK2SIK3
SCHEMBL25322613 0.89 TIPARP (0.49) TIPARPTNFSIK1SIK2SIK3
SCHEMBL30550884 0.88 TIPARP (0.54) TIPARPTNFSIK1SIK2SIK3
SCHEMBL25320875 0.88 TIPARP (0.54) TIPARPTNFSIK1SIK2SIK3
SCHEMBL25320871 0.88 TIPARP (0.54) TIPARPTNFSIK1SIK2SIK3
SCHEMBL25900544 0.87 TIPARP (0.48) TIPARPTNFMAPTSIK1SIK2
SCHEMBL25323234 0.83 TIPARP (0.48) 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 3 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
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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