SCHEMBL4263443

SCHEMBL4263443

Cn1c(Cl)nc(=O)c2c1ncn2Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.64
RXFP1 Q9HBX9 2/20 0.64
ADORA2B P29275 1/20 0.64
POLB P06746 2/20 0.60
HIF1A Q16665 1/20 0.60
HTT P42858 2/20 0.53
UBE2N P61088 2/20 0.53
GLA P06280 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 4/20 0.52
MAPK1 P28482 2/20 0.52
PDE1A P54750 1/20 0.52
PDE1B Q01064 1/20 0.52
PDE1C Q14123 1/20 0.52
ALDH1A1 P00352 1/20 0.49
P2RX7 Q99572 3/20 0.47
TSHR P16473 1/20 0.47
ABCC8 Q09428 1/20 0.47
KCNJ11 Q14654 1/20 0.47
CNOT7 Q9UIV1 1/20 0.46

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
SCHEMBL7110383 0.79 SMN1; SMN2 (0.54) SMN1; SMN2RXFP1ADORA2BPOLBHIF1A
SCHEMBL4264289 0.78 SMN1; SMN2 (0.54) SMN1; SMN2RXFP1ADORA2BPOLBHIF1A
SCHEMBL7439781 0.78 GAA (0.60) SMN1; SMN2RXFP1ADORA2BPOLBHIF1A
SCHEMBL1944405 0.78 ADORA2B (1.00) SMN1; SMN2RXFP1ADORA2BPOLBHIF1A
SCHEMBL2795748 0.76 POLB (0.75) SMN1; SMN2RXFP1ADORA2BPOLBHIF1A
SCHEMBL22521806 0.76 SMN1; SMN2 (0.76) SMN1; SMN2RXFP1ADORA2BPOLBHIF1A
SCHEMBL7113737 0.76 PNP (0.59) SMN1; SMN2RXFP1ADORA2BPOLBHIF1A
SCHEMBL11014928 0.76 POLB (0.83) SMN1; SMN2RXFP1ADORA2BPOLBHIF1A
SCHEMBL23974582 0.75 SMN1; SMN2 (0.80) SMN1; SMN2RXFP1ADORA2BPOLBHIF1A
SCHEMBL27794931 0.75 POLB (0.73) SMN1; SMN2RXFP1ADORA2BPOLBHIF1A

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-2009144548-A1 IMIDAZO [2,1-B] PURINE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2009-12-03 WO disclosed