SCHEMBL3963849

SCHEMBL3963849

Cc1cnc(Cl)nc1-c1ccc(Cl)s1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.42
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
PTGS1 P23219 3/20 0.41
PTGS2 P35354 3/20 0.41
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 3/20 0.40
TP53 P04637 2/20 0.40
GAA P10253 2/20 0.40
PKM P14618 1/20 0.39
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GRIN2B Q13224 1/20 0.35
KDM1A O60341 1/20 0.35
PTPN11 Q06124 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL3967421 0.88 NFKB1 (0.37) PTGS1PTGS2SMN1; SMN2MAPTTP53
SCHEMBL3967424 0.83 MAPT (0.42) POLBSMN1; SMN2MAPTTP53MEN1
SCHEMBL3967577 0.82 KDM4E (0.40) CYP2A6POLBSMN1; SMN2MAPTMEN1
SCHEMBL3965793 0.80 CYP2A6 (0.44) CYP2A6PTGS2MAPTMEN1ALDH1A1
SCHEMBL3972542 0.80 INPPL1 (0.38) ALDH1A1KDM1A
SCHEMBL7253693 0.79 CYP2A6 (0.42) CYP2A6PDGFRBPDGFRAPTGS1PTGS2
SCHEMBL2984648 0.79 CYP2A6 (0.42) CYP2A6PDGFRBPDGFRAPTGS1PTGS2
SCHEMBL3963157 0.79 KDM4E (0.52) POLBSMN1; SMN2GAAMEN1ALDH1A1
SCHEMBL3968687 0.75 ADORA2A (0.50) SMN1; SMN2MAPTGAAMEN1ALDH1A1
SCHEMBL26674123 0.74 PTGS1 (0.39) CYP2A6PDGFRBPDGFRAPTGS1PTGS2

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
WO-2009046416-A1 ANILINOPYRIMIDINES AS JAK KINASE INHIBITORS TARGEGEN INC. (US) 2009-04-09 WO disclosed
WO-2009046416-A1 ANILINOPYRIMIDINES AS JAK KINASE INHIBITORS TARGEGEN INC. (US) 2009-04-09 WO disclosed