SCHEMBL3975880

SCHEMBL3975880

Cc1csc(-c2nc(Nc3ccc(CN4CCN(C(=O)C(C)C)CC4)cc3)nc3[nH]ccc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.39
CHRNA7 P36544 1/20 0.37
PDPK1 O15530 1/20 0.36
ALDH1A2 O94788 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALDH2 P05091 1/20 0.36
ALDH3A1 P30838 1/20 0.36
ALDH1A3 P47895 1/20 0.36
AXL P30530 3/20 0.35
MERTK Q12866 3/20 0.35
MET P08581 1/20 0.35
JAK3 P52333 3/20 0.35
KDR P35968 3/20 0.35
CHEK1 O14757 2/20 0.35
AURKA O14965 2/20 0.35
JAK2 O60674 2/20 0.35
MAP4K4 O95819 2/20 0.35
PAK4 O96013 2/20 0.35
RET P07949 2/20 0.35
LTK P29376 2/20 0.35

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
SCHEMBL13883520 0.92 LRRK2 (0.41) LRRK2CHRNA7PDPK1AXLMERTK
SCHEMBL3969173 0.86 TTK (0.40) LRRK2PDPK1AXLMERTKMET
SCHEMBL3967492 0.86 MAPK1 (0.41) LRRK2PDPK1AXLMERTKMET
SCHEMBL3970201 0.86 MAPK1 (0.41) LRRK2PDPK1AXLMERTKMET
SCHEMBL3975882 0.86 AXL (0.35) LRRK2AXLMERTKMETJAK3
SCHEMBL3970782 0.85 PLK4 (0.41) LRRK2AXLMERTKMETJAK3
SCHEMBL4073485 0.84 TTK (0.47) LRRK2AXLJAK3KDRCHEK1
SCHEMBL3971647 0.78 PDPK1 (0.47) PDPK1AXLMERTKMETJAK3
SCHEMBL3975392 0.77 PDPK1 (0.43) PDPK1ALDH1A1JAK3KDRJAK2
SCHEMBL13883586 0.76 CYP11B1 (0.42) JAK1TTK

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