SCHEMBL22787724

SCHEMBL22787724

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
USP30 Q70CQ3 1/20 0.34
KCNQ4 P56696 3/20 0.34
KCNQ5 Q9NR82 3/20 0.34
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
HIF1A Q16665 2/20 0.34
CYP17A1 P05093 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
LMNA P02545 1/20 0.32
POLB P06746 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
SCHEMBL29494793 1.00 AAK1 (0.39) AAK1PRMT5WDR77CA12CA1
SCHEMBL22777316 0.83 HIF1A (0.35) CA1CA9HIF1A
SCHEMBL29178771 0.81 CA12 (0.40) AAK1PRMT5WDR77CA12CA1
SCHEMBL8219454 0.81 AAK1 (0.39) AAK1PRMT5WDR77CA12CA1
SCHEMBL12072846 0.79 AAK1 (0.40) AAK1PRMT5WDR77CA12CA1
SCHEMBL1675741 0.78 AAK1 (0.42) AAK1PRMT5WDR77CA12CA1
SCHEMBL8221807 0.78 AAK1 (0.41) AAK1PRMT5WDR77USP30KCNQ4
SCHEMBL31534338 0.77 AAK1 (0.36) AAK1PRMT5WDR77KCNQ4KCNQ5
SCHEMBL23564449 0.77 AAK1 (0.41) AAK1PRMT5WDR77KCNQ4KCNQ5
SCHEMBL20396303 0.77 AAK1 (0.44) AAK1PRMT5WDR77USP30KCNQ4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114302877-A Quinazolinyl compounds and methods of use 基因泰克公司 2022-04-08 CN disclosed
WO-2020252165-A1 QUINAZOLINYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2020-12-17 WO disclosed