SCHEMBL31269428

SCHEMBL31269428

COc1ccc(Cl)cc1Cn1c(-c2cccc(CCCC(C)C(=O)O)c2Cl)nc2c(OC3(C)CC3)ncnc21

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 5/20 0.34
▸ CD274 Q9NZQ7 5/20 0.34
▸ PTGER1 P34995 7/20 0.32
▸ PIK3CD O00329 2/20 0.32
▸ ADORA3 P0DMS8 2/20 0.31
▸ USP2 O75604 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ LTB4R Q15722 1/20 0.30
▸ MRGPRX4 Q96LA9 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
SCHEMBL31269078 0.91 CD274 (0.35) PDCD1CD274PTGER1PIK3CDADORA3
SCHEMBL31269132 0.90 PDCD1 (0.34) PDCD1CD274PTGER1PIK3CDMRGPRX4
SCHEMBL31268870 0.90 PDCD1 (0.34) PDCD1CD274PTGER1PIK3CDMRGPRX4
SCHEMBL31268895 0.89 PDCD1 (0.36) PDCD1CD274PTGER1PIK3CDADORA3
SCHEMBL31268864 0.88 CTSA (0.33) PTGER1PIK3CDADORA3
SCHEMBL31269461 0.85 FABP3 (0.34) PDCD1CD274PTGER1PIK3CDCYP3A4
SCHEMBL31268755 0.85 FABP3 (0.34) PDCD1CD274PIK3CDTSHR
SCHEMBL31268932 0.85 FABP3 (0.34) PDCD1CD274PIK3CDTSHR
SCHEMBL31269154 0.85 FABP3 (0.34) PDCD1CD274PTGER1PIK3CDCYP3A4
SCHEMBL30983843 0.84 PDCD1 (0.36) PDCD1CD274PIK3CDADORA3TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4689155-A1 USE OF INHIBITORS TO INCREASE EFFICIENCY OF CRISPR/CAS INSERTIONS Astrazeneca AB (SE) 2026-02-11 — — EP disclosed
WO-2024201368-A1 USE OF INHIBITORS TO INCREASE EFFICIENCY OF CRISPR/CAS INSERTIONS ASTRAZENECA AB (SE) 2024-10-03 — — WO disclosed
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