SCHEMBL3971472

SCHEMBL3971472

Cc1csc(-c2nc(Cl)nc3[nH]ccc23)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
PDK1 Q15118 5/20 0.35
AXL P30530 2/20 0.35
PRKCI P41743 2/20 0.35
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
KDM5B Q9UGL1 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
JAK2 O60674 2/20 0.32
JAK1 P23458 1/20 0.32
ROCK1 Q13464 2/20 0.32
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 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
SCHEMBL3972116 0.83 ADORA2A (0.47) ADORA2AADORA1KDM5BJAK2ROCK1
SCHEMBL3973616 0.78 ADORA2A (0.44) ADORA2AADORA1PDK1AXLPRKCI
SCHEMBL3975335 0.76 CYP2A6 (0.38) ADORA2AADORA1PDK1AXLPRKCI
SCHEMBL3967588 0.71 PGK1 (0.38) ADORA2AADORA1PDK1JAK2JAK3
SCHEMBL12347998 0.71 AXL (0.47) AXLPRKCIJAK2JAK1ROCK1
SCHEMBL3969173 0.71 TTK (0.40) AXLJAK2JAK1ROCK1AURKA
SCHEMBL13883465 0.71 JAK1 (0.40) JAK2JAK1ROCK1AURKADAPK3
SCHEMBL13883624 0.71 JAK1 (0.40) MAPTJAK2JAK1ROCK1AURKA
SCHEMBL3967492 0.70 MAPK1 (0.41) AXLJAK2JAK1ROCK1AURKA
SCHEMBL4258828 0.70 JAK1 (0.43) ADORA2AMAPTJAK1DYRK1ACLK4

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