SCHEMBL31638874

SCHEMBL31638874

COc1ccc(F)cc1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)c2cnn(COCC[Si](C)(C)C)c12

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 1/20 0.37
▸ ROCK2 O75116 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ EGFR P00533 4/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ BTK Q06187 7/20 0.34
▸ UCHL1 P09936 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MET P08581 2/20 0.33
▸ P2RX7 Q99572 1/20 0.33

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
SCHEMBL31638854 0.89 BTK (0.34) CXCR2ROCK2ROCK1EGFRPDE10A
SCHEMBL31639129 0.89 BTK (0.35) CXCR2EGFRBTKUCHL1MET
SCHEMBL31638766 0.85 ROCK2 (0.41) ROCK2ROCK1EGFRPDE10ABTK
SCHEMBL31638790 0.85 ROCK2 (0.40) ROCK2ROCK1EGFRPDE10ABTK
SCHEMBL31638929 0.85 ROCK2 (0.41) ROCK2ROCK1EGFRPDE10ABTK
SCHEMBL31638805 0.83 MAPK8 (0.36) EGFRBTKUCHL1MEN1KMT2A
SCHEMBL31638996 0.82 ROCK2 (0.38) ROCK2ROCK1EGFRPDE10ABTK
SCHEMBL31638930 0.82 ROCK2 (0.41) ROCK2ROCK1EGFRPDE10ABTK
SCHEMBL31638952 0.82 ROCK2 (0.41) ROCK2ROCK1EGFRPDE10ABTK
SCHEMBL31638925 0.81 ROCK2 (0.38) ROCK2ROCK1EGFRPDE10ABTK

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-2025137329-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC (US) 2025-06-26 — — WO disclosed
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