SCHEMBL23217974

SCHEMBL23217974

CC(C)(C)OC(=O)NCCOc1cnc2ccc(Br)cc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
PDK2 Q15119 1/20 0.41
EGFR P00533 1/20 0.40
RAF1 P04049 1/20 0.40
KDR P35968 1/20 0.40
MAP2K2 P36507 1/20 0.40
MAP2K1 Q02750 1/20 0.40
AURKB Q96GD4 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LATS1 O95835 1/20 0.39
BCHE P06276 1/20 0.39
NQO2 P16083 1/20 0.39
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
SCN9A Q15858 1/20 0.39

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
SCHEMBL29790558 0.85 CA12 (0.44) CA12CA1CA2CA9KDM4E
SCHEMBL23217968 0.85 KDM4E (0.48) CA12CA1CA2CA9KDM4E
SCHEMBL25622797 0.82 DYRK1A (0.44) CA12CA1CA2CA9EGFR
SCHEMBL23217950 0.82 CA12 (0.48) CA12CA1CA2CA9KDM4E
SCHEMBL29790612 0.82 CA12 (0.45) CA12CA1CA2CA9KDM4E
SCHEMBL20952026 0.80 ALDH1A1 (0.48) KDM4EEGFRRAF1KDRMAP2K2
SCHEMBL30114500 0.80 ALDH1A1 (0.48) KDM4EEGFRRAF1KDRMAP2K2
SCHEMBL30564446 0.80 CA12 (0.49) CA12CA1CA2CA9KDM4E
SCHEMBL18530389 0.80 CA12 (0.49) CA12CA1CA2CA9KDM4E
SCHEMBL29790576 0.79 CA12 (0.46) CA12CA1CA2CA9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022006340-A1 ALK5 INHIBITORS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. (US) 2022-01-06 WO disclosed
WO-2022006340-A1 ALK5 INHIBITORS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. (US) 2022-01-06 WO disclosed
WO-2021072330-A1 GALNAC-TGFBR1 INHIBITOR CONJUGATES FOR THE TREATMENT OF LIVER DISEASES SILVERBACK THERAPEUTICS, INC. (US) 2021-04-15 WO disclosed