SCHEMBL30143941

SCHEMBL30143941

Nc1ncc(-c2cnn(CC3CC3)c2)c(N)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.47
PIK3CA P42336 2/20 0.47
PIK3CG P48736 2/20 0.47
PI4KB Q9UBF8 2/20 0.47
PIK3CB P42338 1/20 0.47
PI4KA P42356 1/20 0.47
BMPR1A P36894 2/20 0.44
ACVRL1 P37023 2/20 0.44
ACVR1 Q04771 2/20 0.44
DHFR P00374 6/20 0.41
CREBBP Q92793 1/20 0.41
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR3 P22607 1/20 0.40
KDM5B Q9UGL1 1/20 0.39
ADORA2A P29274 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.36
LRRK2 Q5S007 1/20 0.34
EGFR P00533 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
SCHEMBL15060234 0.74 LRRK2 (0.49) BMPR1AACVRL1ACVR1DHFRLRRK2
SCHEMBL18781466 0.73 FGFR1 (0.50) PIK3CDPIK3CAPIK3CGPI4KBPIK3CB
SCHEMBL19668085 0.72 PIK3CD (0.47) PIK3CDPIK3CAPIK3CGPI4KBPIK3CB
SCHEMBL19668074 0.72 PIK3CD (0.47) PIK3CDPIK3CAPIK3CGPI4KBPIK3CB
SCHEMBL19668091 0.72 PIK3CA (0.47) PIK3CDPIK3CAPIK3CGPI4KBPIK3CB
SCHEMBL18781279 0.71 PIK3CD (0.46) PIK3CDPIK3CAPIK3CGPI4KBPIK3CB
SCHEMBL16339646 0.71 PIK3CD (0.49) PIK3CDPIK3CAPIK3CGPI4KBPIK3CB
SCHEMBL18985660 0.70 PIK3CD (0.46) PIK3CDPIK3CAPIK3CGPI4KBPIK3CB
SCHEMBL18985753 0.70 PIK3CD (0.46) PIK3CDPIK3CAPIK3CGPI4KBPIK3CB
SCHEMBL30819778 0.70 ACVRL1 (0.54) BMPR1AACVRL1ACVR1

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-115650958-B 2-Aminopyrimidine compound, preparation method, application and pharmaceutical composition thereof 中国药科大学 2024-05-17 CN disclosed
CN-115650958-A 2-aminopyrimidine compound and preparation method, application and pharmaceutical composition thereof 中国药科大学 2023-01-31 CN disclosed