SCHEMBL30490813

SCHEMBL30490813

CCS(=O)(=O)c1cc(C(C)(C)C#N)cnc1-c1nc2cc(I)ncc2n1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 6/20 0.33
▸ MTOR P42345 5/20 0.33
▸ PIK3CD O00329 4/20 0.33
▸ PIK3CG P48736 4/20 0.33
▸ PIK3CB P42338 3/20 0.31
▸ AKT1 P31749 1/20 0.31
▸ PIK3C2A O00443 1/20 0.30
▸ PIK3C2B O00750 1/20 0.30
▸ CHEK1 O14757 1/20 0.30
▸ ABCB11 O95342 1/20 0.30
▸ CSF1R P07333 1/20 0.30
▸ MET P08581 1/20 0.30
▸ PIK3R1 P27986 1/20 0.30
▸ LTK P29376 1/20 0.30
▸ CDK7 P50613 1/20 0.30
▸ NEK2 P51955 1/20 0.30
▸ JAK3 P52333 1/20 0.30
▸ LIMK1 P53667 1/20 0.30
▸ PRKDC P78527 1/20 0.30
▸ ACVR1 Q04771 1/20 0.30

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
SCHEMBL24313938 1.00 PIK3CA (0.33) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL24313940 0.91 PIK3CA (0.35) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL24314118 0.89 S1PR1 (0.34) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL29904281 0.89 S1PR1 (0.34) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL20482312 0.89 PIK3CA (0.33) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL29482597 0.89 PIK3CA (0.33) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL24313898 0.88 CNR2 (0.32) PIK3CAMTORPIK3CDPIK3CG
SCHEMBL29904287 0.88 CNR2 (0.32) PIK3CAMTORPIK3CDPIK3CG
SCHEMBL24313900 0.82 S1PR1 (0.34) LRRK2
SCHEMBL29904267 0.82 S1PR1 (0.34) LRRK2

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-116804010-A Pesticidally active heterocyclic derivatives with sulfur containing substituents 先正达参股股份有限公司 2023-09-26 — — CN disclosed
CN-110312707-B Pesticidally active heterocyclic derivatives with sulfur containing substituents 先正达参股股份有限公司 2023-06-23 — — CN disclosed
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