SCHEMBL25898500

SCHEMBL25898500

CC1(C)OB(c2cc3ccn(CCC[C@@H](N)C4CC4)c(=O)c3cc2F)OC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 4/20 0.34
▸ TNF P01375 5/20 0.32
▸ JAK2 O60674 1/20 0.31
▸ BTK Q06187 1/20 0.31
▸ HDAC3 O15379 1/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC6 Q9UBN7 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
SCHEMBL25321350 0.81 TIPARP (0.32) TIPARPTNFHDAC3HDAC1HDAC6
SCHEMBL30550612 0.81 TIPARP (0.32) TIPARPTNFHDAC3HDAC1HDAC6
SCHEMBL25321355 0.81 TIPARP (0.32) TIPARPTNFHDAC3HDAC1HDAC6
SCHEMBL25321504 0.80 TNF (0.34) TIPARPTNFHDAC3HDAC1HDAC6
SCHEMBL25321508 0.80 TNF (0.34) TIPARPTNFHDAC3HDAC1HDAC6
SCHEMBL25898499 0.80 TIPARP (0.34) TIPARPTNFHDAC3HDAC1HDAC6
SCHEMBL25320186 0.75 TNF (0.36) TIPARPTNFJAK2BTKHDAC3
SCHEMBL25319011 0.74 TNF (0.37) TIPARPTNFJAK2BTKHDAC3
SCHEMBL25323234 0.71 TIPARP (0.48) TIPARP
SCHEMBL25323238 0.71 TIPARP (0.48) 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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