SCHEMBL30220548

SCHEMBL30220548

CCOC(=O)c1c(Br)c2ccnc(Cl)c2n1C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 3/20 0.40
CLK1 P49759 1/20 0.40
CLK3 P49761 1/20 0.40
DYRK1A Q13627 1/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
NUDT1 P36639 1/20 0.37
KMT2A Q03164 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 1/20 0.36
PIK3CA P42336 1/20 0.36
THRB P10828 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
SCHEMBL30220566 0.87 KMT2A (0.44) JMJD6CLK1CLK3DYRK1ALMNA
SCHEMBL30220595 0.85 JMJD6 (0.40) JMJD6CLK1CLK3DYRK1ALMNA
SCHEMBL2579457 0.77 ALDH1A1 (0.57) LMNAGAAKDM4EALDH1A1HPGD
SCHEMBL20505664 0.73 CLK1 (0.39) CLK1CLK3DYRK1ALMNAGAA
SCHEMBL30220535 0.72 JMJD6 (0.41) JMJD6LMNAMAPTKMT2AKDM4E
SCHEMBL8687098 0.72 ALDH1A1 (0.51) LMNAGAAMAPTKMT2AKDM4E
SCHEMBL24896372 0.72 GPR35 (0.40) LMNARXFP1KDM4EALDH1A1HPGD
SCHEMBL29367154 0.71 KMT2A (0.43) LMNAMAPTKMT2ARXFP1KDM4E
SCHEMBL25205865 0.71 KMT2A (0.43) LMNAMAPTKMT2ARXFP1KDM4E
SCHEMBL23931478 0.70 ALDH1A1 (0.56) GAAMAPTKMT2ARXFP1KDM4E

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-4370207-A1 BICYCLIC COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS Nido Biosciences, Inc. (US) 2024-05-22 EP disclosed
WO-2023287704-A1 BICYCLIC COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS NIDO BIOSCIENCES, INC. (US) 2023-01-19 WO disclosed