SCHEMBL28876591

SCHEMBL28876591

[CH2][C@H]1CN(c2ccc(N)nc2)CCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.40
MTOR P42345 5/20 0.40
PIK3R1 P27986 3/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
POLB P06746 1/20 0.35
GCK P35557 1/20 0.34
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
AKT1 P31749 1/20 0.34
RICTOR Q6R327 2/20 0.33
RPTOR Q8N122 2/20 0.33
MAPKAP1 Q9BPZ7 2/20 0.33
MLST8 Q9BVC4 2/20 0.33
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
GCKR Q14397 1/20 0.33
DRD4 P21917 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33

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
SCHEMBL17340556 0.82 CDK4 (0.43) PIK3CAMTORPIK3R1CHRNB2CHRNA4
SCHEMBL4549816 0.82 CDK4 (0.43) PIK3CAMTORPIK3R1CHRNB2CHRNA4
SCHEMBL28076420 0.82 PIK3CA (0.40) PIK3CAMTORPIK3R1CHRNB2CHRNA4
SCHEMBL21698724 0.82 CDK4 (0.43) PIK3CAMTORPIK3R1CHRNB2CHRNA4
SCHEMBL23103817 0.79 ADORA2A (0.49) PIK3CAMTORPIK3R1CHRNB2CHRNA4
SCHEMBL23104529 0.79 ADORA2A (0.49) PIK3CAMTORPIK3R1CHRNB2CHRNA4
SCHEMBL23104568 0.79 ADORA2A (0.49) PIK3CAMTORPIK3R1CHRNB2CHRNA4
SCHEMBL28876546 0.78 PIK3CA (0.37) PIK3CAMTORPIK3R1CHRNB2CHRNA4
SCHEMBL521049 0.77 PIK3CA (0.56) PIK3CAMTORPIK3R1POLBAKT1
SCHEMBL23089186 0.76 MAP4K1 (0.41) PIK3CAMTORPIK3R1CHRNB2CHRNA4

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
CN-114945366-A HPK1 antagonists and uses thereof 林伯士萨顿公司 2022-08-26 CN disclosed