SCHEMBL21863418

SCHEMBL21863418

Cc1nn2cccnc2c1N

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 0.57
SMPD3 Q9NY59 2/20 0.47
AXL P30530 1/20 0.39
JAK2 O60674 6/20 0.39
JAK3 P52333 6/20 0.39
HTR6 P50406 4/20 0.37
PDE2A O00408 1/20 0.36
CDK2 P24941 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PDE10A Q9Y233 1/20 0.34

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
SCHEMBL5741027 0.80 SMPD3 (0.50) PIK3CGSMPD3AXLJAK2JAK3
SCHEMBL545331 0.80 PIK3CG (0.61) PIK3CGSMPD3AXLJAK2JAK3
Ammonia Solution, Strong SCHEMBL14158423 0.78 PIK3CG (0.59) PIK3CGSMPD3AXLJAK2JAK3
SCHEMBL16629030 0.77 PIK3CG (0.57) PIK3CGSMPD3AXLJAK2JAK3
SCHEMBL31725153 0.77 PIK3CG (0.57) PIK3CGSMPD3AXLHTR6PDE2A
SCHEMBL15308491 0.77 PIK3CG (0.49) PIK3CGSMPD3AXLJAK2JAK3
SCHEMBL7851573 0.77 SMPD3 (0.47) PIK3CGSMPD3AXLJAK2JAK3
SCHEMBL13772943 0.77 PIK3CG (0.57) PIK3CGSMPD3AXLHTR6PDE2A
SCHEMBL38666729 0.77 SMPD3 (0.43) PIK3CGSMPD3AXLJAK2JAK3
SCHEMBL7453195 0.77 SMPD3 (0.43) PIK3CGSMPD3AXLJAK2JAK3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020065614-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed