SCHEMBL2668262

SCHEMBL2668262

C=C(OCC)c1cnc(N)c(N)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
SMN1; SMN2 Q16637 6/20 0.36
RAB9A P51151 6/20 0.35
NPC1 O15118 5/20 0.35
HSD17B10 Q99714 2/20 0.35
PDE1B Q01064 1/20 0.35
DGAT1 O75907 1/20 0.35
USP2 O75604 1/20 0.35
CHEK2 O96017 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CREBBP Q92793 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 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
SCHEMBL24631023 0.80 DDR1 (0.43) PDE1BKDM4EPOLB
SCHEMBL710842 0.80 CYP2C9 (0.53) SMN1; SMN2RAB9ANPC1HSD17B10CHEK2
SCHEMBL14683910 0.74 DGAT1 (0.41) SMN1; SMN2RAB9ANPC1HSD17B10PDE1B
SCHEMBL690399 0.72 DGAT1 (0.46) SMN1; SMN2RAB9ANPC1HSD17B10PDE1B
SCHEMBL31161564 0.71 DGAT1 (0.40) RAB9ANPC1HSD17B10PDE1BDGAT1
SCHEMBL31382642 0.71 CHEK2 (0.39) SMN1; SMN2RAB9ANPC1HSD17B10CHEK2
SCHEMBL16749497 0.70 ABCB1 (0.40) SMN1; SMN2RAB9ANPC1KDM4EALDH1A1
SCHEMBL17516281 0.70 ATM (0.49) SMN1; SMN2RAB9AHSD17B10PDE1BKDM4E
SCHEMBL7713081 0.70 DGAT1 (0.45) RAB9APDE1BDGAT1KDM4EALDH1A1
SCHEMBL31457180 0.70 HPGD (0.37) PDE4APDE4BPDE4CPDE4DHSD17B10

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-2007028135-A2 IMIDAZOPYRIDINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-08 WO disclosed