SCHEMBL25902165

SCHEMBL25902165

Nc1nc(-c2cc3ccn(CCC4CCCC4)c(=O)c3cc2F)ncc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 6/20 0.54
▸ FLT3 P36888 7/20 0.41
▸ KIT P10721 4/20 0.41
▸ KDR P35968 3/20 0.40
▸ LCK P06239 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ CHEK1 O14757 5/20 0.39
▸ HTR1A P08908 3/20 0.36
▸ HTR2A P28223 3/20 0.36
▸ DRD2 P14416 2/20 0.36
▸ ACHE P22303 1/20 0.35
▸ AURKA O14965 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ EPHA1 P21709 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ BMX P51813 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ CDK6 Q00534 1/20 0.34

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
SCHEMBL25907752 0.99 TIPARP (0.53) TIPARPFLT3KITKDRLCK
SCHEMBL25900208 0.98 TIPARP (0.54) TIPARPFLT3KITKDRLCK
SCHEMBL26799088 0.93 TIPARP (0.47) TIPARPFLT3KITKDRLCK
SCHEMBL25900854 0.91 TIPARP (0.56) TIPARPFLT3KITKDRLCK
SCHEMBL25907371 0.91 TIPARP (0.49) TIPARPFLT3KITKDRLCK
SCHEMBL25900139 0.87 TIPARP (0.56) TIPARPFLT3KITKDRCHEK1
SCHEMBL25902177 0.86 TIPARP (0.43) TIPARPFLT3KITKDRLCK
SCHEMBL25907918 0.85 TIPARP (0.40) TIPARPFLT3KITKDRLCK
SCHEMBL25899853 0.84 TIPARP (0.60) TIPARPFLT3KITKDRCHEK1
SCHEMBL26787748 0.84 TIPARP (0.59) TIPARPFLT3KITKDRCHEK1

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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