SCHEMBL3645100

SCHEMBL3645100

c1ccc2cc(-c3ccc4nc(-c5ccsc5)n(C5CCNCC5)c4n3)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
CDK9 P50750 2/20 0.38
DYRK1A Q13627 2/20 0.38
DYRK2 Q92630 2/20 0.38
NR1H4 Q96RI1 1/20 0.38
CLK1 P49759 1/20 0.38
CYP11B1 P15538 4/20 0.34
CYP11B2 P19099 3/20 0.34
KCNH2 Q12809 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
CHEK1 O14757 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL3651843 0.84 PIK3CA (0.39) PIK3CAMTORCDK9DYRK1ADYRK2
SCHEMBL3648302 0.84 PIK3CA (0.43) PIK3CAMTORCDK9DYRK1ADYRK2
SCHEMBL3650827 0.83 PDGFRB (0.42) PIK3CAMTORNR1H4KCNH2PDGFRB
SCHEMBL3651846 0.83 PIK3CA (0.40) PIK3CAMTORCDK9DYRK1ADYRK2
SCHEMBL3647338 0.82 CYP11B2 (0.48) PIK3CAMTORCDK9DYRK1ADYRK2
SCHEMBL3654292 0.79 NR1H4 (0.36) PIK3CAMTORNR1H4KCNH2PDGFRB
SCHEMBL3652136 0.73 PRKCI (0.43) PIK3CAMTORNR1H4CSNK1DMAPK11
SCHEMBL3647060 0.72 NR1H4 (0.42) PIK3CAMTORNR1H4KCNH2SLC6A2
SCHEMBL3643516 0.70 NR1H4 (0.41) PIK3CAMTORNR1H4KCNH2SLC6A2
SCHEMBL3650993 0.70 TP53 (0.41) PIK3CAMTORNR1H4CYP11B2KCNH2

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-2185556-A1 IMIDAZOPYRIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM Wyeth a Corporation of the State of Delaware (US) 2010-05-19 EP disclosed
WO-2009029609-A1 IMIDAZOPYRIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-03-05 WO disclosed