SCHEMBL29178771

SCHEMBL29178771

Cc1cc(NC(=O)OC(C)(C)C)cc(F)c1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
AAK1 Q2M2I8 2/20 0.36
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
RORC P51449 6/20 0.35
USP30 Q70CQ3 1/20 0.34
EGLN2 Q96KS0 2/20 0.33
SYK P43405 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
PSMB8 P28062 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
SCHEMBL29178636 0.83 KMT2A (0.34) CA1CA9
SCHEMBL22787724 0.81 AAK1 (0.39) CA12CA1CA9PRMT5WDR77
SCHEMBL29494793 0.81 AAK1 (0.39) CA12CA1CA9PRMT5WDR77
SCHEMBL13035973 0.80 CA12 (0.43) CA12CA1CA9PRMT5WDR77
SCHEMBL31256429 0.79 CA12 (0.38) CA12CA1CA9PRMT5WDR77
SCHEMBL21318698 0.78 AAK1 (0.46) CA12CA1CA9PRMT5WDR77
SCHEMBL12072363 0.78 CA12 (0.49) CA12CA1CA9PRMT5WDR77
SCHEMBL31703038 0.77 CXCR2 (0.36) CA12CA1CA9PRMT5WDR77
SCHEMBL16042474 0.77 CA12 (0.43) CA12CA1CA9PRMT5WDR77
SCHEMBL13833256 0.77 AAK1 (0.43) CA12CA1CA9PRMT5WDR77

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
CN-117466897-A Highly selective FGFR2 inhibitors 深圳福沃药业有限公司 2024-01-30 CN disclosed