SCHEMBL4057052

SCHEMBL4057052

CCCCOC(=O)Nc1ncc(-c2cccc(C#Cc3cccc(Cl)c3)c2)n1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 1/20 0.42
DYRK1A Q13627 1/20 0.42
DYRK2 Q92630 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
GRM5 P41594 6/20 0.40
EPHX2 P34913 3/20 0.39
FGFR3 P22607 1/20 0.37
FAAH O00519 1/20 0.35
RAB9A P51151 3/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 2/20 0.35
NPC1 O15118 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP3A4 P08684 1/20 0.35
NR1H2 P55055 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL4241713 0.93 FGFR3 (0.38) FGFR3RAB9AHPGDLMNANPC1
SCHEMBL4300649 0.90 GRM5 (0.44) DYRK3DYRK1ADYRK2DYRK1BGRM5
SCHEMBL4232577 0.89 FGFR3 (0.39) DYRK3DYRK1ADYRK2DYRK1BGRM5
SCHEMBL4056602 0.89 FGFR3 (0.39) DYRK3DYRK1ADYRK2DYRK1BFGFR3
SCHEMBL4060823 0.89 GRM5 (0.38) DYRK3DYRK1ADYRK2DYRK1BGRM5
SCHEMBL4232436 0.88 NR1H2 (0.36) FGFR3RAB9AHPGDLMNANR1H2
SCHEMBL4063530 0.87 KDM4E (0.38) FGFR3RAB9AHPGDLMNACYP1A2
SCHEMBL4231082 0.85 NR1H2 (0.41) FAAHRAB9ANPC1CYP1A2CYP2C19
SCHEMBL4303398 0.82 CNR2 (0.38) NR1H2
SCHEMBL4233651 0.81 PTGES (0.38) NR1H2

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-2009123753-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-10-08 WO disclosed