SCHEMBL29492846

SCHEMBL29492846

Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2cc(Nc3ccc4nccnc4c3)ncc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 16/20 0.62
▸ PRKDC P78527 11/20 0.62
▸ MTOR P42345 10/20 0.52
▸ PIK3CD O00329 4/20 0.52
▸ PIK3CG P48736 4/20 0.52
▸ PIK3CB P42338 3/20 0.49
▸ AKT1 P31749 1/20 0.49
▸ PIK3C2A O00443 1/20 0.48
▸ PIK3C2B O00750 1/20 0.48
▸ CHEK1 O14757 1/20 0.48
▸ ABCB11 O95342 1/20 0.48
▸ CSF1R P07333 1/20 0.48
▸ MET P08581 1/20 0.48
▸ PIK3R1 P27986 1/20 0.48
▸ LTK P29376 1/20 0.48
▸ CDK7 P50613 1/20 0.48
▸ NEK2 P51955 1/20 0.48
▸ JAK3 P52333 1/20 0.48
▸ LIMK1 P53667 1/20 0.48
▸ ACVR1 Q04771 1/20 0.48

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
SCHEMBL24270535 1.00 PIK3CA (0.62) PIK3CAPRKDCMTORPIK3CDPIK3CG
SCHEMBL29492863 0.90 PIK3CA (0.58) PIK3CAPRKDCMTORPIK3CDPIK3CG
SCHEMBL24270657 0.90 PIK3CA (0.58) PIK3CAPRKDCMTORPIK3CDPIK3CG
SCHEMBL24270543 0.83 PIK3CA (0.47) PIK3CAPRKDCMTORPIK3CDPIK3CG
SCHEMBL24270530 0.78 PIK3CA (0.78) PIK3CAPRKDCMTORPIK3CDPIK3CG
SCHEMBL29492843 0.78 PIK3CA (0.78) PIK3CAPRKDCMTORPIK3CDPIK3CG
SCHEMBL29492845 0.77 PRKDC (1.00) PIK3CAPRKDCMTORPIK3CDPIK3CG
SCHEMBL24270595 0.77 PRKDC (1.00) PIK3CAPRKDCMTORPIK3CDPIK3CG
SCHEMBL24270515 0.77 PIK3CA (0.59) PIK3CAPRKDCMTORPIK3CDPIK3CG
SCHEMBL29492855 0.77 PIK3CA (0.59) PIK3CAPRKDCMTORPIK3CDPIK3CG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116669725-A Novel aminopyridine and use thereof in the treatment of cancer 奥克兰联合服务有限公司 2023-08-29 — — CN disclosed
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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