SCHEMBL31439358

SCHEMBL31439358

Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3nc(-c4ccc(N)nc4)ccc3ncc21

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 19/20 0.82
▸ MTOR P42345 18/20 0.82
▸ PIK3CD O00329 4/20 0.59
▸ PIK3CG P48736 4/20 0.59
▸ PIK3CB P42338 3/20 0.59
▸ PIK3C2A O00443 1/20 0.59
▸ PIK3C2B O00750 1/20 0.59
▸ CHEK1 O14757 1/20 0.59
▸ ABCB11 O95342 1/20 0.59
▸ CSF1R P07333 1/20 0.59
▸ MET P08581 1/20 0.59
▸ PIK3R1 P27986 1/20 0.59
▸ LTK P29376 1/20 0.59
▸ CDK7 P50613 1/20 0.59
▸ NEK2 P51955 1/20 0.59
▸ JAK3 P52333 1/20 0.59
▸ LIMK1 P53667 1/20 0.59
▸ PRKDC P78527 1/20 0.59
▸ ACVR1 Q04771 1/20 0.59
▸ MAP4K2 Q12851 1/20 0.59

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
SCHEMBL15615921 0.91 PIK3CA (0.68) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL2283474 0.90 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL2282904 0.88 MTOR (1.00) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL2281969 0.88 MTOR (1.00) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL2283748 0.87 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL15747929 0.86 PIK3CA (0.93) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL2279824 0.86 PIK3CA (0.77) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL2284471 0.86 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL14872773 0.86 MTOR (0.77) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL14239222 0.85 PIK3CA (0.59) PIK3CAMTORPIK3CDPIK3CGPIK3CB

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-119661531-A Imidazolone compound as well as preparation method and application thereof 北京富龙康泰生物技术有限公司 2025-03-21 — — CN disclosed
Send feedback