SCHEMBL31638996

SCHEMBL31638996

COc1ccc(F)cc1C(=O)NCc1ccc(C(O)=C(C#N)C#N)c2cnn(COCC[Si](C)(C)C)c12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ EGFR P00533 4/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ BTK Q06187 3/20 0.34
▸ P2RX7 Q99572 1/20 0.34
▸ BRD4 O60885 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ RIPK1 Q13546 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ RET P07949 1/20 0.33
▸ MET P08581 2/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ PDE4B Q07343 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
SCHEMBL31638925 0.93 ROCK2 (0.38) ROCK2ROCK1EGFRPDE10ABTK
SCHEMBL31638766 0.90 ROCK2 (0.41) ROCK2ROCK1EGFRPDE10ABTK
SCHEMBL31638929 0.89 ROCK2 (0.41) ROCK2ROCK1EGFRPDE10ABTK
SCHEMBL31638990 0.88 ROCK2 (0.38) ROCK2ROCK1EGFRPDE10ABTK
SCHEMBL31638790 0.85 ROCK2 (0.40) ROCK2ROCK1EGFRPDE10ABTK
SCHEMBL31638930 0.85 ROCK2 (0.41) ROCK2ROCK1EGFRPDE10ABTK
SCHEMBL31638952 0.84 ROCK2 (0.41) ROCK2ROCK1EGFRPDE10ABTK
SCHEMBL31638874 0.82 CXCR2 (0.37) ROCK2ROCK1EGFRPDE10ABTK
SCHEMBL31639108 0.81 BTK (0.38) ROCK2ROCK1EGFRPDE10ABTK
SCHEMBL31638963 0.79 ROCK2 (0.37) 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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