SCHEMBL3969752

SCHEMBL3969752

Cc1csc(-c2nc(Nc3ccc(OC4CCN(C)CC4)cc3)nc3[nH]ccc23)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 1/20 0.48
EGFR P00533 4/20 0.44
TTK P33981 2/20 0.43
GSK3B P49841 2/20 0.42
DYRK1A Q13627 2/20 0.42
MAP3K7 O43318 1/20 0.40
MAP4K1 Q92918 1/20 0.38
LRRK2 Q5S007 1/20 0.38
CDK2 P24941 2/20 0.38
AXL P30530 2/20 0.38
AURKA O14965 1/20 0.38
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
CCNA2 P20248 1/20 0.38
CCNA1 P78396 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
BTK Q06187 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL3975292 0.89 PAK4 (0.41) ZAP70EGFRTTKJAK2JAK1
SCHEMBL3971227 0.83 TTK (0.44) EGFRTTKMAP3K7LRRK2AXL
SCHEMBL3970291 0.83 TTK (0.63) EGFRTTKMAP3K7JAK2JAK1
SCHEMBL13883571 0.80 SRC (0.46) EGFRAXLJAK2JAK1JAK3
SCHEMBL4082415 0.78 TTK (0.46) EGFRTTKLRRK2CDK2AURKA
SCHEMBL3966581 0.78 JAK2 (0.51) EGFRTTKLRRK2JAK2JAK1
SCHEMBL4078306 0.77 TTK (0.62) TTKLRRK2CDK2AURKAJAK2
SCHEMBL3970170 0.77 TTK (0.51) EGFRTTKCDK2CCNA2JAK2
SCHEMBL3969173 0.76 TTK (0.40) TTKLRRK2AXLAURKAJAK2
SCHEMBL3967981 0.76 PTK2 (0.42) EGFRJAK2JAK1JAK3BTK

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