SCHEMBL3973616

SCHEMBL3973616

Cc1ccc(-c2nc(Cl)nc3[nH]ccc23)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.44
ADORA1 P30542 2/20 0.44
AXL P30530 2/20 0.37
PRKCI P41743 2/20 0.37
JAK2 O60674 3/20 0.33
JAK1 P23458 2/20 0.33
PDK1 Q15118 4/20 0.33
TP53 P04637 2/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPT P10636 1/20 0.33
GFER P55789 1/20 0.33
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
ROCK1 Q13464 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL3975493 0.81 MEN1 (0.38) ADORA2AADORA1AXLPRKCIPDK1
SCHEMBL3971472 0.78 ADORA2A (0.38) ADORA2AADORA1AXLPRKCIJAK2
SCHEMBL4081014 0.78 IKBKB (0.43) ADORA2AADORA1JAK2JAK1PDK1
SCHEMBL3975335 0.77 CYP2A6 (0.38) ADORA2AADORA1AXLPRKCIPDK1
SCHEMBL3967588 0.74 PGK1 (0.38) ADORA2AADORA1JAK2PDK1IKBKB
SCHEMBL12574854 0.73 PRKCI (0.46) ADORA2AADORA1AXLPRKCIJAK2
SCHEMBL31735867 0.73 JAK2 (0.47) ADORA2AADORA1AXLPRKCIJAK2
SCHEMBL13213033 0.71 JAK2 (0.56) ADORA2AADORA1AXLJAK2JAK1
SCHEMBL10125092 0.70 PRKCI (0.51) ADORA2AADORA1AXLPRKCIJAK2
SCHEMBL691603 0.69 PRKCI (0.44) ADORA2AADORA1AXLPRKCIJAK2

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-2009049028-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USE AS JANUS KINASE MODULATORS TARGEGEN INC. (US) 2009-04-16 WO disclosed
WO-2009049028-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USE AS JANUS KINASE MODULATORS TARGEGEN INC. (US) 2009-04-16 WO disclosed