SCHEMBL28755319

SCHEMBL28755319

CN1CCN(c2cc(=O)c3c(=O)n(C)c(=O)n(C)c3[nH]2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
PABPC1 P11940 1/20 0.56
GAA P10253 6/20 0.47
KMT2A Q03164 2/20 0.45
CYP2C9 P11712 2/20 0.44
CYP1A2 P05177 1/20 0.44
HTT P42858 1/20 0.43
TSHR P16473 1/20 0.42
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 1/20 0.34
BRD1 O95696 1/20 0.33
TAF1 P21675 1/20 0.33
BRPF1 P55201 1/20 0.33

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
SCHEMBL29671977 0.90 POLB (0.57) POLBPABPC1GAAKMT2ACYP2C9
SCHEMBL28755491 0.86 POLB (0.54) POLBPABPC1GAAKMT2ACYP2C9
SCHEMBL28755247 0.72 POLB (1.00) POLBPABPC1GAAKMT2ACYP2C9
SCHEMBL28755504 0.72 POLB (0.66) POLBPABPC1GAAKMT2ACYP2C9
SCHEMBL28755366 0.70 POLB (0.62) POLBPABPC1GAAKMT2ACYP2C9
SCHEMBL3794609 0.65 POLB (0.56) POLBPABPC1GAAKMT2ACYP2C9
SCHEMBL3797438 0.63 POLB (0.53) POLBPABPC1GAAKMT2ACYP2C9
SCHEMBL14422064 0.62 LMNA (0.53) POLBKMT2ALMNAALDH1A1BRPF1
SCHEMBL6646545 0.61 LCK (0.44) POLBGAAKMT2AHTTTSHR
SCHEMBL6645625 0.61 HRH4 (0.42) TSHRSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114573582-B 1,2,3, 4-tetrahydropyrido [2,3-d ] pyrimidine compound and preparation method and application thereof 沈阳药科大学 2023-06-16 CN disclosed
CN-114573582-A 1,2,3, 4-tetrahydropyrido [2,3-d ] pyrimidine compound and preparation method and application thereof 沈阳药科大学 2022-06-03 CN disclosed