SCHEMBL30902192

SCHEMBL30902192

C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncnc2ccc(Cl)nc12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GPR119 Q8TDV5 11/20 0.44
SMARCA2 P51531 1/20 0.42
SMARCA4 P51532 1/20 0.42
PBRM1 Q86U86 1/20 0.42
KRAS P01116 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
ABCB1 P08183 1/20 0.40
PIK3CD O00329 1/20 0.39
MET P08581 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
SCHEMBL31029643 1.00 MAP4K4 (0.48) MAP4K4MEN1KMT2AGPR119SMARCA2
SCHEMBL30902260 0.84 MAP4K4 (0.62) MAP4K4MEN1KMT2ACNR1CNR2
SCHEMBL31029670 0.84 MAP4K4 (0.62) MAP4K4MEN1KMT2ACNR1CNR2
SCHEMBL30734207 0.78 PIK3CD (0.46) GPR119SMARCA2SMARCA4PBRM1PIK3CD
SCHEMBL30902197 0.78 PIK3CD (0.46) GPR119SMARCA2SMARCA4PBRM1PIK3CD
SCHEMBL28895326 0.78 MEN1 (0.61) MAP4K4MEN1KMT2AGPR119CNR1
SCHEMBL29002882 0.78 MEN1 (0.61) MAP4K4MEN1KMT2AGPR119CNR1
SCHEMBL23640794 0.77 SMARCA2 (0.43) MEN1KMT2AGPR119SMARCA2SMARCA4
SCHEMBL30902201 0.77 MAP4K4 (0.48) MAP4K4MEN1KMT2ACNR1CNR2
SCHEMBL31029618 0.77 MAP4K4 (0.48) MAP4K4MEN1KMT2ACNR1CNR2

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-117957219-A Pyridine derivative and application thereof 四川汇宇制药股份有限公司 2024-04-30 CN disclosed