SCHEMBL31005804

SCHEMBL31005804

CC(=O)N1CCN(c2c(C)n(CC(=O)Nc3ccc(C(F)(F)F)cc3)c3nc(Br)nn3c2=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ FPR2 P25090 1/20 0.39
▸ ENPP2 Q13822 2/20 0.39
▸ WRN Q14191 1/20 0.38
▸ TRPV1 Q8NER1 5/20 0.38
▸ POLB P06746 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ AKR1B1 P15121 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ P2RX3 P56373 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL25036710 0.90 MAPT (0.47) KDM4EWRNTRPV1LMNAMAPT
SCHEMBL25035228 0.89 KDM4E (0.40) KDM4EFPR2POLBCA1CA2
SCHEMBL27380712 0.88 MCHR1 (0.40) KDM4EEPHX2FPR2ENPP2WRN
SCHEMBL27381226 0.87 ENPP2 (0.41) ENPP2WRNTRPV1AKR1B1LMNA
SCHEMBL27381050 0.87 TP53 (0.41) KDM4EEPHX2FPR2ENPP2WRN
SCHEMBL27381122 0.86 EPHX2 (0.38) KDM4EEPHX2FPR2ENPP2WRN
SCHEMBL30039096 0.86 MAPT (0.43) KDM4EFPR2WRNTRPV1LMNA
SCHEMBL27380972 0.85 ENPP2 (0.39) KDM4EEPHX2FPR2ENPP2WRN
SCHEMBL27380782 0.85 EPHX2 (0.42) KDM4EEPHX2ENPP2WRNTRPV1
SCHEMBL27380708 0.85 WRN (0.45) KDM4EEPHX2FPR2ENPP2WRN

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-4619104-A1 BICYCLIC HETEROCYCLES AND THEIR USE AS WRN INHIBITORS Novartis AG (CH) 2025-09-24 — — EP disclosed
WO-2024105553-A1 BICYCLIC HETEROCYCLES AND THEIR USE AS WRN INHIBITORS NOVARTIS AG (CH) 2024-05-23 — — WO disclosed
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