SCHEMBL4490438

SCHEMBL4490438

[AsH2]c1ccc(-n2ccnc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.64
MAPT P10636 1/20 0.64
ENPP2 Q13822 1/20 0.64
MKNK1 Q9BUB5 1/20 0.64
MKNK2 Q9HBH9 1/20 0.64
NOTUM Q6P988 1/20 0.64
CYP3A4 P08684 4/20 0.63
MEN1 O00255 1/20 0.60
ALOX15 P16050 1/20 0.60
TSHR P16473 1/20 0.60
KMT2A Q03164 1/20 0.60
BAZ2B Q9UIF8 1/20 0.55
CYP51A1 Q16850 1/20 0.53
CYP2A6 P11509 1/20 0.52
CYP19A1 P11511 3/20 0.52
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
ADH5 P11766 2/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50

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
SCHEMBL2532397 0.89 LMNA (0.78) LMNAMAPTENPP2MKNK1MKNK2
Hydrochloric Acid SCHEMBL28701756 0.86 LMNA (0.75) LMNAMAPTENPP2MKNK1MKNK2
SCHEMBL2533488 0.82 TSHR (0.84) LMNAMAPTENPP2MKNK1MKNK2
SCHEMBL3250899 0.79 CYP3A4 (0.71) LMNAMAPTENPP2MKNK1MKNK2
SCHEMBL8108194 0.78 LMNA (0.64) LMNAMAPTENPP2MKNK1MKNK2
SCHEMBL872661 0.78 NOTUM (1.00) LMNAMAPTENPP2MKNK1MKNK2
SCHEMBL17672944 0.78 LMNA (0.64) LMNAMAPTENPP2MKNK1MKNK2
SCHEMBL171705 0.78 LMNA (0.64) LMNAMAPTENPP2MKNK1MKNK2
SCHEMBL132319 0.78 LMNA (0.64) LMNAMAPTENPP2MKNK1MKNK2
SCHEMBL2234254 0.78 LMNA (0.64) LMNAMAPTENPP2MKNK1MKNK2

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-2021316-A1 INHIBITORS OF POLO-LIKE KINASES Abbott Laboratories (US) 2009-02-11 EP disclosed
WO-2007140233-A1 INHIBITORS OF POLO-LIKE KINASES ABBOTT LABORATORIES (US) 2007-12-06 WO disclosed