SCHEMBL8109920

SCHEMBL8109920

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COOCCC2CCCCC2)[C@@H](O)[C@H]1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT1 Q9H9B1 4/20 0.67
EHMT2 Q96KQ7 3/20 0.67
ADORA2A P29274 5/20 0.61
ADORA2B P29275 4/20 0.61
ADORA3 P0DMS8 3/20 0.61
P2RY1 P47900 4/20 0.60
ADORA1 P30542 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
P2RY2 P41231 3/20 0.60
SRC P12931 2/20 0.60
DPP4 P27487 1/20 0.60
MEN1 O00255 1/20 0.60
SLC28A1 O00337 1/20 0.60
MAP3K7 O43318 1/20 0.60
SLC28A2 O43868 1/20 0.60
GAPDH P04406 1/20 0.60
MAPK1 P28482 1/20 0.60
STAT6 P42226 1/20 0.60
PI4KA P42356 1/20 0.60
KMT2A Q03164 1/20 0.60

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
SCHEMBL13268990 0.87 EHMT1 (0.71) EHMT1EHMT2ADORA2AADORA2BADORA3
SCHEMBL5063589 0.85 ADORA1 (0.65) EHMT1EHMT2ADORA2AADORA2BADORA3
SCHEMBL6247323 0.84 AHCY (0.71) ADORA2AADORA2BADORA3P2RY1ADORA1
SCHEMBL8164443 0.84 P2RY1 (0.68) EHMT1ADORA2AADORA2BADORA3P2RY1
SCHEMBL120562 0.84 ADORA3 (0.68) EHMT1EHMT2ADORA2AADORA2BADORA3
SCHEMBL10604277 0.83 EHMT1 (0.76) EHMT1EHMT2ADORA2AADORA2BADORA3
SCHEMBL120551 0.82 ADORA3 (0.69) EHMT1EHMT2ADORA2AADORA2BADORA3
SCHEMBL3446755 0.82 ADORA1 (0.71) EHMT1ADORA2AADORA2BADORA3P2RY1
SCHEMBL3317160 0.82 DOT1L (0.74) EHMT1EHMT2KMT2ADOT1L
SCHEMBL8007640 0.82 DOT1L (0.65) ADORA2AADORA2BADORA3P2RY1ADORA1

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-1000055-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. Searle & Co. (US) 2000-05-17 EP disclosed
WO-1998052940-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE AND CO. (US) 1998-11-26 WO disclosed