SCHEMBL31536207

SCHEMBL31536207

Cc1cc(-c2cnc(N)c(C(=O)Nc3ccnc(C#CC(C)(C)O)n3)c2)cc(C)c1N1CCN(C)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIK3C3 Q8NEB9 8/20 0.43
▸ GSK3B P49841 4/20 0.40
▸ CCNE2 O96020 1/20 0.40
▸ CCNE1 P24864 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ IKBKE Q14164 4/20 0.39
▸ TBK1 Q9UHD2 4/20 0.39
▸ BMPR1B O00238 2/20 0.37
▸ BMPR1A P36894 2/20 0.37
▸ ACVRL1 P37023 2/20 0.37
▸ ACVR1 Q04771 2/20 0.37
▸ TGFBR1 P36897 1/20 0.37
▸ DYRK1A Q13627 5/20 0.37
▸ CLK2 P49760 2/20 0.37
▸ CLK3 P49761 2/20 0.37
▸ WNT1 P04628 3/20 0.36

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
SCHEMBL31536289 0.85 PIK3C3 (0.40) PIK3C3GSK3BCCNE2CCNE1CDK2
SCHEMBL31536145 0.82 CCNE2 (0.44) PIK3C3GSK3BCCNE2CCNE1CDK2
SCHEMBL31536234 0.78 TBK1 (0.64) IKBKETBK1
SCHEMBL31536134 0.77 SORT1 (0.42) PIK3C3IKBKETBK1
SCHEMBL31536268 0.75 CCNE2 (0.41) PIK3C3GSK3BCCNE2CCNE1CDK2
SCHEMBL31536123 0.74 TBK1 (0.44) PIK3C3GSK3BCCNE2CCNE1CDK2
SCHEMBL21592923 0.74 TBK1 (0.48) PIK3C3GSK3BCCNE2CCNE1CDK2
SCHEMBL31536298 0.73 GSK3B (0.49) GSK3BCCNE2CCNE1CDK2
SCHEMBL28504729 0.73 TBK1 (0.60) GSK3BCCNE2CCNE1CDK2IKBKE
SCHEMBL21592921 0.72 TBK1 (0.47) GSK3BCCNE2CCNE1CDK2IKBKE

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-119707930-A Aromatic ring compound and its prepn and use 甘李药业股份有限公司 2025-03-28 — — CN disclosed
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