SCHEMBL25902196

SCHEMBL25902196

CCOCCCCCn1ccc2cc(-c3ncc(C(F)(F)F)cn3)c(F)cc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 6/20 0.46
▸ TNF P01375 7/20 0.38
▸ POLB P06746 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CHEK1 O14757 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SIK1 P57059 1/20 0.32
▸ SIK2 Q9H0K1 1/20 0.32
▸ SIK3 Q9Y2K2 1/20 0.32
▸ LMNA P02545 1/20 0.32

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
SCHEMBL25898542 0.90 TIPARP (0.48) TIPARPTNFKDM4EMAPTSIK1
SCHEMBL25907205 0.89 TIPARP (0.47) TIPARPTNFFLT3SIK1SIK2
SCHEMBL25897832 0.89 TIPARP (0.49) TIPARPTNFKDM4EMAPTSIK1
SCHEMBL26793446 0.88 TIPARP (0.49) TIPARPTNFKDM4EMAPTLMNA
SCHEMBL25901729 0.87 TIPARP (0.54) TIPARPTNFSIK1SIK2SIK3
SCHEMBL25907789 0.86 TIPARP (0.46) TIPARPTNFKDM4EFLT3MAPT
SCHEMBL25900117 0.85 TIPARP (0.46) TIPARPTNFLMNA
SCHEMBL25908053 0.85 TIPARP (0.45) TIPARPTNFSIK1SIK2SIK3
SCHEMBL25899525 0.84 TIPARP (0.44) TIPARPCHEK1FLT3SIK1SIK2
SCHEMBL25899141 0.83 TIPARP (0.47) TIPARPTNFCHEK1FLT3SIK1

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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