SCHEMBL901803

SCHEMBL901803

COC(=O)[C@H]1CC[C@H](Nc2cc(Cl)nc(Cl)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.50
PDGFRA P16234 3/20 0.50
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
S1PR2 O95136 2/20 0.41
PDE7A Q13946 1/20 0.41
BTK Q06187 1/20 0.37
WNT1 P04628 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
SUV39H2 Q9H5I1 1/20 0.36
ALDH1A1 P00352 2/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PRCP P42785 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
SCHEMBL901805 1.00 PDGFRB (0.50) PDGFRBPDGFRALMNASMN1; SMN2MEN1
SCHEMBL25153864 0.79 LMNA (0.51) PDGFRBPDGFRALMNASMN1; SMN2MEN1
SCHEMBL29248610 0.79 LMNA (0.51) PDGFRBPDGFRALMNASMN1; SMN2MEN1
SCHEMBL902281 0.76 PIM1 (0.42) PDGFRBPDGFRAS1PR2GSK3BDYRK1A
SCHEMBL902280 0.76 PIM1 (0.42) PDGFRBPDGFRAS1PR2GSK3BDYRK1A
SCHEMBL29248501 0.75 LMNA (0.48) PDGFRBPDGFRALMNASMN1; SMN2MEN1
SCHEMBL25153875 0.75 LMNA (0.48) PDGFRBPDGFRALMNASMN1; SMN2MEN1
SCHEMBL2405309 0.75 ALDH1A1 (0.56) PDGFRBPDGFRASMN1; SMN2MEN1KMT2A
SCHEMBL2405311 0.75 ALDH1A1 (0.56) PDGFRBPDGFRASMN1; SMN2MEN1KMT2A
SCHEMBL901398 0.75 LMNA (0.50) PDGFRBPDGFRALMNASMN1; SMN2MEN1

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-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed