SCHEMBL23905464

SCHEMBL23905464

COc1cc(C(=O)NCC(c2cc3c(c(-c4ccc(C(F)(F)F)cc4)n2)OCC3C)C(F)(F)F)cc2cc(C(F)F)cnc12

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
PDE4B Q07343 2/20 0.32
P2RX7 Q99572 8/20 0.32
MAPT P10636 1/20 0.31
MTTP P55157 2/20 0.31
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CG P48736 1/20 0.30
TDO2 P48775 1/20 0.30
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30
LRRK2 Q5S007 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
SCHEMBL23905666 0.92 ROCK2 (0.33) ROCK2ROCK1PDE4BMAPTPIK3CD
SCHEMBL23905651 0.92 ROCK2 (0.33) ROCK2ROCK1PDE4BP2RX7MAPT
SCHEMBL23905459 0.89 POLB (0.36) ROCK2ROCK1P2RX7MAPTMTTP
SCHEMBL23905558 0.88 GABRA5 (0.31)
SCHEMBL23905650 0.84 ADRA1D (0.33) ROCK2ROCK1PDE4BP2RX7MAPT
SCHEMBL23904817 0.84 LRRK2 (0.34) LRRK2
SCHEMBL23905661 0.83 LMNA (0.33) MAPT
SCHEMBL24345454 0.83 POLB (0.38) P2RX7
SCHEMBL24363611 0.83 POLB (0.38) P2RX7
SCHEMBL23905662 0.80 GABRA5 (0.31)

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