SCHEMBL23905669

SCHEMBL23905669

COc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)C(=N)N)C(F)(F)F)cc2cccnc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
CFTR P13569 3/20 0.33
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 1/20 0.32
GABRA5 P31644 2/20 0.31
RAD52 P43351 1/20 0.30
UBE2N P61088 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 1/20 0.30
BACE1 P56817 1/20 0.30
BACE2 Q9Y5Z0 1/20 0.30
TACR1 P25103 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30
DYRK1A Q13627 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
SCHEMBL24986770 0.95 POLB (0.37) POLBCFTRKMT2AMEN1LMNA
SCHEMBL24986796 0.94 POLB (0.37) POLBCFTRKMT2AMEN1LMNA
SCHEMBL24986069 0.92 POLB (0.36) POLBCFTRKMT2AMEN1LMNA
SCHEMBL24986067 0.92 POLB (0.36) POLBCFTRKMT2AMEN1LMNA
SCHEMBL24986078 0.92 POLB (0.36) POLBCFTRKMT2AMEN1LMNA
SCHEMBL24986076 0.92 POLB (0.36) POLBCFTRKMT2AMEN1LMNA
SCHEMBL24345459 0.92 POLB (0.39) POLBCFTRKMT2AMEN1LMNA
SCHEMBL24986063 0.92 POLB (0.36) POLBCFTRKMT2AMEN1LMNA
SCHEMBL24984500 0.92 POLB (0.36) POLBCFTRKMT2AMEN1LMNA
SCHEMBL24345298 0.92 POLB (0.37) POLBCFTRKMT2AMEN1LMNA

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-2021198981-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2021-10-07 WO disclosed