SCHEMBL28590002

SCHEMBL28590002

CC(C)(C#N)c1ccc(-n2c(=O)[nH]c3cnc4ccc(Br)cc4c32)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 14/20 0.46
▸ MTOR P42345 11/20 0.46
▸ BRD4 O60885 2/20 0.36
▸ BRD2 P25440 2/20 0.36
▸ BRD3 Q15059 2/20 0.36
▸ PIK3CD O00329 6/20 0.36
▸ PIK3CG P48736 4/20 0.36
▸ PIK3CB P42338 3/20 0.36
▸ PIK3C2A O00443 1/20 0.35
▸ PIK3C2B O00750 1/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ ABCB11 O95342 1/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ MET P08581 1/20 0.35
▸ PIK3R1 P27986 1/20 0.35
▸ LTK P29376 1/20 0.35
▸ CDK7 P50613 1/20 0.35
▸ NEK2 P51955 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ LIMK1 P53667 1/20 0.35

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
SCHEMBL993047 0.85 PIK3CA (0.56) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL9905396 0.84 PIK3CA (0.46) PIK3CAMTORBRD4BRD2BRD3
SCHEMBL31439330 0.81 BRD4 (0.45) PIK3CAMTORBRD4BRD2BRD3
SCHEMBL5653378 0.80 PIK3CA (0.42) PIK3CAMTORPIK3CDCHEK1AKT1
SCHEMBL20390762 0.79 PIK3CA (0.44) PIK3CAMTORBRD4BRD2BRD3
SCHEMBL31439381 0.79 PIK3CA (0.44) PIK3CAMTORBRD4BRD2BRD3
SCHEMBL31439387 0.75 PIK3CA (0.41) PIK3CAMTORPIK3CDCHEK1ATM
SCHEMBL18998180 0.75 GABRA1 (0.54) BRD4BRD2BRD3CHEK1ATM
SCHEMBL1074861 0.75 KDM4E (0.46) BRD4BRD2BRD3GABRA1GABRG2
SCHEMBL31439289 0.75 PIK3CA (0.47) 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-108752336-B Imidazoquinoline derivatives and application thereof 常州润诺生物科技有限公司 2021-06-04 — — CN disclosed
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