SCHEMBL25899977

SCHEMBL25899977

CCCCCn1ccc2cc(-c3ncc(C#N)c(N)n3)c(F)c(F)c2c1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GRM2 Q14416 16/20 0.36
▸ TIPARP Q7Z3E1 2/20 0.35
▸ USP2 O75604 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ MAPK1 P28482 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
SCHEMBL25899203 0.87 TLR8 (0.37) KDM4EHTTGRM2TIPARP
SCHEMBL26789113 0.85 TIPARP (0.48) HSD17B10KDM4EMEN1GAATSHR
SCHEMBL25900007 0.85 TIPARP (0.37) KDM4EHTTGRM2TIPARP
SCHEMBL25899110 0.85 TIPARP (0.47) HSD17B10KDM4EMEN1GAATSHR
SCHEMBL25899963 0.84 GRM2 (0.41) GRM2TIPARP
SCHEMBL25899251 0.84 TIPARP (0.46) KDM4ETSHRHTTGRM2TIPARP
SCHEMBL25898801 0.82 GRM2 (0.40) KDM4EHTTGRM2ALDH1A1
SCHEMBL25898093 0.79 LMNA (0.41) KDM4ETSHRHTTGRM2TIPARP
SCHEMBL25898794 0.79 TIPARP (0.42) KDM4EHTTGRM2TIPARP
SCHEMBL25898816 0.79 GRM2 (0.38) GRM2TIPARP

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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