SCHEMBL23905711

SCHEMBL23905711

COc1cc(C(=O)NCC(c2cc3c(c(-c4ccc(C(F)(F)F)cc4)n2)OCC3(C)C#N)C(F)(F)F)cc2cccnc12

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
DYRK1A Q13627 1/20 0.31
CTSA P10619 1/20 0.31
LRRK2 Q5S007 1/20 0.31
MAPT P10636 2/20 0.31
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
MTTP P55157 3/20 0.31
TRPV1 Q8NER1 2/20 0.30
LMNA P02545 1/20 0.30
PDE2A O00408 1/20 0.30
RAD52 P43351 1/20 0.30
UBE2N P61088 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
SLC40A1 Q9NP59 1/20 0.30
P2RX7 Q99572 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
SCHEMBL23905710 0.85 POLB (0.34) POLBKMT2AMEN1HPGDMAPT
SCHEMBL23905515 0.83 POLB (0.37) POLBKMT2AMEN1HPGDDYRK1A
SCHEMBL23905459 0.82 POLB (0.36) POLBKMT2AMEN1HPGDMAPT
SCHEMBL24345844 0.82 POLB (0.36) POLBKMT2AMEN1HPGDDYRK1A
SCHEMBL24345474 0.82 POLB (0.35) POLBKMT2AMEN1HPGDDYRK1A
SCHEMBL24345317 0.80 POLB (0.34) POLBKMT2AMEN1HPGDMAPT
SCHEMBL23905829 0.79 ROCK2 (0.31) CTSAMAPTROCK2ROCK1
SCHEMBL23905665 0.77 MAPT (0.33) POLBMAPTROCK2ROCK1
SCHEMBL24345454 0.76 POLB (0.38) POLBKMT2AMEN1HPGDDYRK1A
SCHEMBL24363611 0.76 POLB (0.38) POLBKMT2AMEN1HPGDDYRK1A

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