SCHEMBL30104859

SCHEMBL30104859

CCc1c2n(c3ncc(C(F)(F)F)cc13)CCN=C2

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 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
SCHEMBL31244947 0.88 ALDH1A1 (0.30) ALDH1A1GAAHTT
SCHEMBL30104863 0.84 POLB (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31244819 0.82 POLB (0.37) MEN1KMT2AALDH1A1GAAHTT
SCHEMBL30104783 0.82 POLB (0.32) ALDH1A1GAAHTT
SCHEMBL31244767 0.81 POLB (0.30)
SCHEMBL31244777 0.81 PSEN1 (0.30) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31244659 0.79 POLB (0.30)
SCHEMBL31244650 0.78
SCHEMBL31244765 0.78 KDM4E (0.32)
SCHEMBL31244722 0.76

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-2022247839-A1 PARP7 INHIBITOR 山东轩竹医药科技有限公司 2022-12-01 WO disclosed