SCHEMBL25907877

SCHEMBL25907877

Nc1nc(-c2cc3ncn(CCCCC4CC4)c(=O)c3cc2F)ncc1Cl

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 2/20 0.44
▸ EIF4EBP1 Q13541 1/20 0.34
▸ GRK2 P25098 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ HTR7 P34969 3/20 0.32
▸ HTR1A P08908 2/20 0.32
▸ TNF P01375 3/20 0.31
▸ PRPS1 P60891 2/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ DRD5 P21918 1/20 0.31
▸ DRD3 P35462 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
SCHEMBL25907893 0.89 TIPARP (0.36) TIPARPEIF4EBP1GRK2ACHEHTR7
SCHEMBL25908025 0.87 EIF4EBP1 (0.39) EIF4EBP1GRK2ACHEHTR7HTR1A
SCHEMBL25908040 0.85 TIPARP (0.37) TIPARPEIF4EBP1GRK2TNF
SCHEMBL25908034 0.82 DRD2 (0.40) EIF4EBP1GRK2ACHEHTR7TNF
SCHEMBL25908014 0.81 TIPARP (0.39) TIPARPEIF4EBP1GRK2ACHEHTR7
SCHEMBL25907870 0.80 DRD2 (0.33) TIPARPGRK2ACHEHTR7TNF
SCHEMBL25907918 0.79 TIPARP (0.40) TIPARPEIF4EBP1GRK2ACHE
SCHEMBL25907670 0.77 ACHE (0.41) EIF4EBP1GRK2ACHE
SCHEMBL25899211 0.77 NPC1 (0.40) TIPARPTNF
SCHEMBL25319450 0.76 TIPARP (0.66) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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