SCHEMBL4544034

SCHEMBL4544034

Cn1cncc1-c1ccc(C(=O)NC(Cc2ccccc2)C(NC(=O)O)C(C)(C)C)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.38
GPR142 Q7Z601 1/20 0.37
PLK1 P53350 1/20 0.36
TXK P42681 1/20 0.35
BTK Q06187 1/20 0.35
ITK Q08881 1/20 0.35
HDAC1 Q13547 6/20 0.35
HDAC3 O15379 4/20 0.35
HDAC4 P56524 4/20 0.35
HDAC7 Q8WUI4 4/20 0.35
HDAC2 Q92769 4/20 0.35
HDAC10 Q969S8 4/20 0.35
HDAC11 Q96DB2 4/20 0.35
HDAC8 Q9BY41 4/20 0.35
HDAC6 Q9UBN7 4/20 0.35
HDAC9 Q9UKV0 4/20 0.35
HDAC5 Q9UQL6 4/20 0.35
STIM1 Q13586 1/20 0.35
ORAI1 Q96D31 1/20 0.35
DYRK1A Q13627 1/20 0.34

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
SCHEMBL4543913 0.81 HPGDS (0.36) HPGDSHDAC1HDAC3HDAC4HDAC7
SCHEMBL1529412 0.81 DYRK1A (0.43) HPGDSGPR142HDAC1HDAC3HDAC4
SCHEMBL4537535 0.81 HPGDS (0.41) HPGDSHDAC1HDAC3HDAC4HDAC7
SCHEMBL4382189 0.77 ACKR3 (0.43) HDAC1HDAC3HDAC4ACKR3
SCHEMBL4375386 0.77 ACKR3 (0.43) HDAC1HDAC3HDAC4ACKR3
SCHEMBL12679257 0.77 ATM (0.45) HPGDSGPR142PLK1DYRK1ADYRK1B
SCHEMBL4378512 0.76 AKT1 (0.40) CCR1
SCHEMBL4542245 0.74 AKT1 (0.39) HDAC8
SCHEMBL4592997 0.73 AKT1 (0.43) HPGDSDYRK1ADYRK1B
SCHEMBL4379225 0.73 ANPEP (0.36) HPGDSHDAC1HDAC3HDAC4DYRK1A

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-2117523-A1 INHIBITORS OF AKT ACTIVITY SmithKline Beecham Corporation (US) 2009-11-18 EP disclosed
WO-2008098104-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-08-14 WO disclosed