SCHEMBL4967775

SCHEMBL4967775

CC(NC(=O)OC(C)(C)C)C(c1ccc(C(F)(F)F)nc1)N(C(=O)OC(C)(C)C)c1ncc(Br)s1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.36
P2RX3 P56373 10/20 0.34
P2RX2 Q9UBL9 10/20 0.34
NR1I2 O75469 1/20 0.34
CYP2C9 P11712 1/20 0.34
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
TRPA1 O75762 1/20 0.31
GPR139 Q6DWJ6 1/20 0.31
FFAR2 O15552 1/20 0.31
S1PR3 Q99500 1/20 0.31
AAK1 Q2M2I8 1/20 0.30
PDPK1 O15530 1/20 0.30

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
SCHEMBL4969320 0.89 USP30 (0.38) USP30TRPA1FFAR2S1PR3AAK1
SCHEMBL2551213 0.75 CA1 (0.37) P2RX3P2RX2NR1I2CYP2C9CA1
SCHEMBL1741864 0.74 GPR139 (0.40) P2RX3P2RX2NR1I2CYP2C9CA1
SCHEMBL2550148 0.74 ATM (0.35) CYP2C9CA1CA2CA4CA7
SCHEMBL4298661 0.74 ATM (0.35) CYP2C9CA1CA2CA4CA7
SCHEMBL2550153 0.74 ATM (0.35) CYP2C9CA1CA2CA4CA7
SCHEMBL30277283 0.73 CYP2C9 (0.48) P2RX3P2RX2NR1I2CYP2C9TRPA1
SCHEMBL19962270 0.73 CYP2C9 (0.48) P2RX3P2RX2NR1I2CYP2C9TRPA1
SCHEMBL4968016 0.73 USP30 (0.36) USP30FFAR2
SCHEMBL123047 0.73 USP30 (0.60) USP30FFAR2AAK1PDPK1

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
EP-1981884-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B (PKB) INHIBITORS Amgen, Inc (US) 2008-10-22 EP disclosed
WO-2007084391-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B ( PKB) INHIBITORS AMGEN INC. (US) 2007-07-26 WO disclosed