SCHEMBL31536145

SCHEMBL31536145

Cc1cc(-c2cnc(N)c(C(=O)Nc3cncc(C#CC(C)(C)O)c3)c2)cc(C)c1N1CCN(C)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CCNE2 O96020 2/20 0.44
▸ CCNE1 P24864 2/20 0.44
▸ CDK2 P24941 2/20 0.44
▸ GSK3B P49841 2/20 0.44
▸ TBK1 Q9UHD2 12/20 0.41
▸ IKBKE Q14164 11/20 0.41
▸ PRKCI P41743 2/20 0.37
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37
▸ CHRNA2 Q15822 1/20 0.37
▸ RET P07949 2/20 0.36
▸ PIK3C3 Q8NEB9 1/20 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 0.82 PIK3C3 (0.40) CCNE2CCNE1CDK2GSK3BTBK1
SCHEMBL31536207 0.82 PIK3C3 (0.43) CCNE2CCNE1CDK2GSK3BTBK1
SCHEMBL31536268 0.80 CCNE2 (0.41) CCNE2CCNE1CDK2GSK3BTBK1
SCHEMBL31536234 0.80 TBK1 (0.64) TBK1IKBKEPRKCI
SCHEMBL21592923 0.76 TBK1 (0.48) CCNE2CCNE1CDK2GSK3BTBK1
SCHEMBL31536270 0.76 MAP4K1 (0.42) CCNE2CCNE1CDK2GSK3BTBK1
SCHEMBL31536195 0.76 PRKCI (0.37) TBK1IKBKEPRKCICHRNB2CHRNA3
SCHEMBL28504729 0.75 TBK1 (0.60) CCNE2CCNE1CDK2GSK3BTBK1
SCHEMBL21592921 0.75 TBK1 (0.47) CCNE2CCNE1CDK2GSK3BTBK1
SCHEMBL31536298 0.71 GSK3B (0.49) CCNE2CCNE1CDK2GSK3BPRKCI

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
Send feedback