SCHEMBL29492855

SCHEMBL29492855

Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2cc(Cl)ncc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 14/20 0.59
▸ MTOR P42345 11/20 0.59
▸ PIK3CD O00329 4/20 0.59
▸ PIK3CG P48736 4/20 0.59
▸ PRKDC P78527 5/20 0.58
▸ PIK3CB P42338 3/20 0.52
▸ PIK3C2A O00443 1/20 0.52
▸ PIK3C2B O00750 1/20 0.52
▸ CHEK1 O14757 1/20 0.52
▸ ABCB11 O95342 1/20 0.52
▸ CSF1R P07333 1/20 0.52
▸ MET P08581 1/20 0.52
▸ PIK3R1 P27986 1/20 0.52
▸ LTK P29376 1/20 0.52
▸ CDK7 P50613 1/20 0.52
▸ NEK2 P51955 1/20 0.52
▸ JAK3 P52333 1/20 0.52
▸ LIMK1 P53667 1/20 0.52
▸ ACVR1 Q04771 1/20 0.52
▸ MAP4K2 Q12851 1/20 0.52

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
SCHEMBL24270515 1.00 PIK3CA (0.59) PIK3CAMTORPIK3CDPIK3CGPRKDC
SCHEMBL29492843 0.80 PIK3CA (0.78) PIK3CAMTORPIK3CDPIK3CGPRKDC
SCHEMBL24270530 0.80 PIK3CA (0.78) PIK3CAMTORPIK3CDPIK3CGPRKDC
SCHEMBL24270518 0.79 PIK3CA (0.47) PIK3CAMTORPIK3CDPIK3CGPRKDC
SCHEMBL29492711 0.79 PIK3CA (0.47) PIK3CAMTORPIK3CDPIK3CGPRKDC
SCHEMBL24270832 0.79 PRKDC (0.51) PIK3CAMTORPIK3CDPIK3CGPRKDC
SCHEMBL30578505 0.79 PRKDC (0.51) PIK3CAMTORPIK3CDPIK3CGPRKDC
SCHEMBL15747768 0.78 PIK3CA (0.70) PIK3CAMTORPIK3CDPIK3CGPRKDC
SCHEMBL31439311 0.78 PIK3CA (0.70) PIK3CAMTORPIK3CDPIK3CGPRKDC
SCHEMBL24270535 0.77 PIK3CA (0.62) PIK3CAMTORPIK3CDPIK3CGPRKDC

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
EP-4217357-A1 NOVEL AMINOPYRIDINES AND THEIR USE IN TREATING CANCER Auckland Uniservices Limited (NZ) 2023-08-02 — — EP disclosed
WO-2022064430-A1 NOVEL AMINOPYRIDINES AND THEIR USE IN TREATING CANCER AUCKLAND UNISERVICES LIMITED (NZ) 2022-03-31 — — WO disclosed
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