SCHEMBL3974734

SCHEMBL3974734

Cc1csc(-c2nc(Nc3cccc(CN4CCOCC4)c3)nc3[nH]ccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.46
CDK1 P06493 1/20 0.46
PLK4 O00444 1/20 0.44
NUAK1 O60285 2/20 0.42
ACVR1 Q04771 2/20 0.42
BMPR1B O00238 1/20 0.42
SIK2 Q9H0K1 1/20 0.42
JAK2 O60674 5/20 0.42
JAK3 P52333 5/20 0.42
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
CSF1R P07333 4/20 0.42
PTK2 Q05397 4/20 0.42
TBK1 Q9UHD2 4/20 0.42
AURKA O14965 3/20 0.42
CHEK1 O14757 2/20 0.42
MAP4K4 O95819 2/20 0.42
PAK4 O96013 2/20 0.42
ABL1 P00519 2/20 0.42
RET P07949 2/20 0.42

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
SCHEMBL3975392 0.92 PDPK1 (0.43) KDRCDK1JAK2JAK3PAK4
SCHEMBL3971647 0.91 PDPK1 (0.47) KDRJAK2JAK3PTK2AURKA
SCHEMBL4073485 0.91 TTK (0.47) KDRPLK4JAK2JAK3CSF1R
SCHEMBL4075270 0.84 TTK (0.48) KDRCDK1JAK2JAK3CSF1R
SCHEMBL3973968 0.84 KDR (0.43) KDRCDK1PLK4NUAK1ACVR1
SCHEMBL3971363 0.82 TTK (0.46) KDRCDK1PLK4JAK2JAK3
SCHEMBL3969173 0.82 TTK (0.40) KDRCDK1JAK2JAK3CSF1R
SCHEMBL3970201 0.81 MAPK1 (0.41) KDRCDK1JAK2JAK3CSF1R
SCHEMBL3967492 0.81 MAPK1 (0.41) KDRCDK1JAK2JAK3CSF1R
SCHEMBL4078306 0.81 TTK (0.62) KDRCDK1JAK2JAK3CSF1R

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