SCHEMBL29653733

SCHEMBL29653733

CC(C)(C)OC(=O)N1CCC2(CC1)CCN(c1cnc3ccc(Br)cc3n1)CC2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.48
SKP1 P63208 2/20 0.48
SKP2 Q13309 2/20 0.48
CYP11B2 P19099 1/20 0.45
MAP4K4 O95819 1/20 0.44
GPR119 Q8TDV5 6/20 0.43
RET P07949 1/20 0.43
BACE1 P56817 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ACACB O00763 2/20 0.40
KIF18A Q8NI77 1/20 0.39
PGK1 P00558 1/20 0.39
NAMPT P43490 1/20 0.39

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
SCHEMBL24754168 0.94 CYP11B2 (0.48) CKS1BSKP1SKP2CYP11B2MAP4K4
SCHEMBL15141123 0.91 CKS1B (0.57) CKS1BSKP1SKP2MAP4K4GPR119
SCHEMBL24753736 0.83 CYP11B2 (0.48) CKS1BSKP1SKP2CYP11B2MAP4K4
SCHEMBL1780700 0.82 RET (0.51) CKS1BSKP1SKP2CYP11B2MAP4K4
SCHEMBL29455974 0.82 RET (0.51) CKS1BSKP1SKP2CYP11B2MAP4K4
SCHEMBL31548343 0.81 NAMPT (0.44) GPR119ACACBNAMPT
SCHEMBL31548144 0.78 USP1 (0.40) MAP4K4GPR119BACE1NAMPT
SCHEMBL3085473 0.78 BACE1 (0.42) CKS1BSKP1SKP2MAP4K4BACE1
SCHEMBL29197468 0.77 EED (0.42) CKS1BSKP1SKP2MAP4K4GPR119
SCHEMBL24753077 0.76 CKS1B (0.48) CKS1BSKP1SKP2MAP4K4GPR119

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-114605391-A Quinoxaline derivative and preparation method and application thereof 广州六顺生物科技股份有限公司 2022-06-10 CN disclosed