SCHEMBL30273130

SCHEMBL30273130

NNc1cc(N2CCOCC2)nc(OCCc2ccccn2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 2/20 1.00
SYK P43405 2/20 1.00
IRAK4 Q9NWZ3 2/20 1.00
BRSK1 Q8TDC3 1/20 1.00
FES P07332 1/20 0.65
FER P16591 1/20 0.65
FRK P42685 1/20 0.65
CAMK1D Q8IU85 1/20 0.65
PIKFYVE Q9Y2I7 1/20 0.65
PIK3CA P42336 11/20 0.52
PIK3CB P42338 5/20 0.46
PIK3CG P48736 2/20 0.46
FFAR1 O14842 1/20 0.44
PIK3CD O00329 1/20 0.42
NAPEPLD Q6IQ20 1/20 0.42
MTOR P42345 1/20 0.41

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
SCHEMBL31025329 1.00 TYK2 (1.00) TYK2SYKIRAK4BRSK1FES
SCHEMBL1616481 1.00 TYK2 (1.00) TYK2SYKIRAK4BRSK1FES
SCHEMBL23326603 0.87 TYK2 (0.76) TYK2SYKIRAK4BRSK1FES
SCHEMBL3355321 0.86 TYK2 (0.76) TYK2SYKIRAK4BRSK1FES
SCHEMBL3110596 0.86 TYK2 (0.75) TYK2SYKIRAK4BRSK1FES
SCHEMBL11929833 0.84 TYK2 (0.72) TYK2SYKIRAK4BRSK1FES
SCHEMBL30273129 0.84 TYK2 (0.72) TYK2SYKIRAK4BRSK1FES
SCHEMBL1617807 0.84 TYK2 (0.72) TYK2SYKIRAK4BRSK1FES
SCHEMBL12634088 0.83 TYK2 (0.70) TYK2SYKIRAK4BRSK1FES
SCHEMBL18115397 0.83 TYK2 (0.85) TYK2SYKIRAK4BRSK1FES

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
CN-113683596-B Pyrimidine tankyrase 2 inhibitor and preparation method and application thereof 上海应用技术大学 2023-02-10 CN claimed
CN-113683596-B Pyrimidine tankyrase 2 inhibitor and preparation method and application thereof 上海应用技术大学 2023-02-10 CN disclosed