SCHEMBL25907371

SCHEMBL25907371

Nc1nc(-c2cc3ccn(CCC4CCOC4)c(=O)c3cc2F)ncc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 6/20 0.49
▸ FLT3 P36888 6/20 0.39
▸ KIT P10721 4/20 0.39
▸ CHEK1 O14757 4/20 0.37
▸ PIM1 P11309 2/20 0.35
▸ HTR1A P08908 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ XDH P47989 1/20 0.34
▸ AURKA O14965 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ EPHA1 P21709 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ BMX P51813 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ CDK6 Q00534 1/20 0.33
▸ PAK1 Q13153 1/20 0.33
▸ ALK Q9UM73 1/20 0.33

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
SCHEMBL25900208 0.91 TIPARP (0.54) TIPARPFLT3KITCHEK1HTR1A
SCHEMBL25902165 0.91 TIPARP (0.54) TIPARPFLT3KITCHEK1HTR1A
SCHEMBL25907752 0.90 TIPARP (0.53) TIPARPFLT3KITCHEK1HTR1A
SCHEMBL25900854 0.86 TIPARP (0.56) TIPARPFLT3KITCHEK1HTR1A
SCHEMBL26799088 0.84 TIPARP (0.47) TIPARPFLT3KITCHEK1HTR1A
SCHEMBL25900139 0.82 TIPARP (0.56) TIPARPFLT3KITCHEK1KDR
SCHEMBL25899853 0.80 TIPARP (0.60) TIPARPFLT3KITCHEK1KDR
SCHEMBL26787748 0.79 TIPARP (0.59) TIPARPFLT3KITCHEK1KDR
SCHEMBL25902177 0.77 TIPARP (0.43) TIPARPFLT3KITCHEK1PIM1
SCHEMBL25907600 0.77 TIPARP (0.50) TIPARPFLT3KITCHEK1AURKA

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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