SCHEMBL30550698

SCHEMBL30550698

O=CCCCn1ccc2cc(-c3ncc(C(F)(F)F)cn3)c(F)c(F)c2c1=O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 4/20 0.35
▸ GRM2 Q14416 4/20 0.33
▸ LMNA P02545 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HTT P42858 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
SCHEMBL25320350 1.00 TIPARP (0.35) TIPARPGRM2LMNATSHRHTT
SCHEMBL31058433 0.90 LMNA (0.40) TIPARPGRM2LMNATSHRHTT
SCHEMBL25898093 0.87 LMNA (0.41) TIPARPGRM2LMNATSHRHTT
Hydrochloric Acid SCHEMBL31058409 0.86 SIK2 (0.38) TIPARPGRM2LMNAHTT
Hydrochloric Acid SCHEMBL26658801 0.86 SIK2 (0.38) TIPARPGRM2LMNAHTT
SCHEMBL30550707 0.83 GRM2 (0.31) TIPARPGRM2
SCHEMBL25322088 0.83 GRM2 (0.31) TIPARPGRM2
SCHEMBL25321271 0.82 TIPARP (0.33) TIPARP
SCHEMBL25321451 0.82 TIPARP (0.37) TIPARP
SCHEMBL25321448 0.82 TIPARP (0.37) 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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