SCHEMBL31639129

SCHEMBL31639129

COc1ccc(F)cc1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)c2cnn(COCC[Si](C)(C)C)c12

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 9/20 0.35
▸ EGFR P00533 5/20 0.35
▸ UCHL1 P09936 1/20 0.33
▸ CXCR2 P25025 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ MET P08581 1/20 0.32
▸ ABCB1 P08183 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ RET P07949 1/20 0.32

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
SCHEMBL31639020 0.89 BTK (0.37) BTKEGFRCXCR2ADORA2AHDAC3
SCHEMBL31638874 0.89 CXCR2 (0.37) BTKEGFRUCHL1CXCR2MET
SCHEMBL31638854 0.88 BTK (0.34) BTKEGFRUCHL1CXCR2
SCHEMBL31638968 0.86 EGFR (0.38) BTKEGFRADORA2AMETHDAC3
SCHEMBL31638766 0.77 ROCK2 (0.41) BTKEGFRMET
SCHEMBL31638790 0.77 ROCK2 (0.40) BTKEGFRMETHDAC3HDAC1
SCHEMBL31638930 0.77 ROCK2 (0.41) BTKEGFRMET
SCHEMBL31638952 0.77 ROCK2 (0.41) BTKEGFRMET
SCHEMBL31638929 0.77 ROCK2 (0.41) BTKEGFRMET
SCHEMBL31638940 0.76 ROCK2 (0.36) BTKEGFRMETHDAC3HDAC1

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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