SCHEMBL3971647

SCHEMBL3971647

Cc1csc(-c2nc(Nc3cccc(CN4CCN(C)CC4)c3)nc3[nH]ccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.47
KDR P35968 1/20 0.44
PLK1 P53350 1/20 0.43
AXL P30530 5/20 0.42
MERTK Q12866 4/20 0.42
JAK2 O60674 4/20 0.41
JAK3 P52333 3/20 0.41
BRD4 O60885 1/20 0.41
TTK P33981 1/20 0.41
CDK2 P24941 2/20 0.40
PTK2 Q05397 2/20 0.40
AURKA O14965 1/20 0.40
PRKCQ Q04759 1/20 0.40
PRKCD Q05655 1/20 0.40
CCNA2 P20248 1/20 0.40
CCNA1 P78396 1/20 0.40
ACP1 P24666 2/20 0.40
MET P08581 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
SCHEMBL3975392 0.93 PDPK1 (0.43) PDPK1KDRPLK1JAK2JAK3
SCHEMBL3974734 0.91 KDR (0.46) KDRJAK2JAK3TTKCDK2
SCHEMBL3970170 0.85 TTK (0.51) JAK2JAK3BRD4TTKCDK2
SCHEMBL3969173 0.83 TTK (0.40) PDPK1KDRAXLMERTKJAK2
SCHEMBL3967492 0.82 MAPK1 (0.41) PDPK1KDRAXLMERTKJAK2
SCHEMBL3970201 0.82 MAPK1 (0.41) PDPK1KDRAXLMERTKJAK2
SCHEMBL3970782 0.81 PLK4 (0.41) KDRAXLMERTKJAK2JAK3
SCHEMBL13883513 0.81 PDE5A (0.49) JAK2BRD4TTKCDK2AURKA
SCHEMBL13883562 0.81 IRAK4 (0.49) PDPK1CDK2CCNA2
SCHEMBL4073485 0.81 TTK (0.47) KDRAXLJAK2JAK3TTK

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