SCHEMBL30940689

SCHEMBL30940689

C[C@H]1CN(C(=O)OCCc2c[nH]c(=O)c(C(F)(F)F)c2)C[C@H](C)N1c1ncc(C2CC2)cn1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.36
WDR5 P61964 5/20 0.33
RIPK1 Q13546 4/20 0.33
FGFR2 P21802 4/20 0.33
FGFR3 P22607 4/20 0.33
FGFR1 P11362 3/20 0.33
TIPARP Q7Z3E1 4/20 0.32
ACVR1 Q04771 3/20 0.32
KCNH2 Q12809 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
SCHEMBL24967969 1.00 GPR119 (0.36) GPR119WDR5RIPK1FGFR2FGFR3
SCHEMBL24968389 0.91 TIPARP (0.40) GPR119WDR5RIPK1FGFR2FGFR3
SCHEMBL24968397 0.91 TIPARP (0.40) GPR119WDR5RIPK1FGFR2FGFR3
SCHEMBL24968352 0.91 TIPARP (0.40) GPR119WDR5RIPK1FGFR2FGFR3
SCHEMBL24968357 0.91 GPR119 (0.37) GPR119WDR5RIPK1FGFR2FGFR3
SCHEMBL24968240 0.86 ACACB (0.35) GPR119WDR5TIPARPKCNH2
SCHEMBL24968241 0.86 ACACB (0.35) GPR119WDR5TIPARPKCNH2
SCHEMBL24968457 0.86 ACACB (0.35) GPR119WDR5TIPARPKCNH2
SCHEMBL24967955 0.85 TIPARP (0.42) GPR119TIPARPKCNH2
SCHEMBL24968931 0.85 GPR119 (0.37) GPR119

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
EP-4378938-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2024-06-05 EP disclosed