SCHEMBL29033709

SCHEMBL29033709

CN1CCN(C(=N)N)CC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.42
BRD4 O60885 1/20 0.40
BRD2 P25440 1/20 0.40
PIK3CD O00329 1/20 0.39
DPP4 P27487 1/20 0.39
TMPRSS2 O15393 2/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAOA P21397 1/20 0.38
SLC6A2 P23975 1/20 0.38
F2 P00734 1/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
TSHR P16473 1/20 0.37
PMP22 Q01453 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CHIA Q9BZP6 1/20 0.33
CECR2 Q9BXF3 1/20 0.33
MAPK1 P28482 1/20 0.32

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
SCHEMBL6948066 0.82 P2RX7 (0.46) P2RX7BRD4BRD2PIK3CDDPP4
SCHEMBL9828272 0.80 P2RX7 (0.42) P2RX7BRD4BRD2PIK3CDDPP4
SCHEMBL5508211 0.75 P2RX7 (0.47) P2RX7BRD4BRD2PIK3CDDPP4
SCHEMBL10274994 0.75 CYP1A2 (0.48) P2RX7BRD4BRD2PIK3CDDPP4
Hydrochloric Acid SCHEMBL9836222 0.74 P2RX7 (0.41) P2RX7BRD4BRD2PIK3CDDPP4
Hydrochloric Acid SCHEMBL9835431 0.74 PIK3CD (0.39) P2RX7BRD4BRD2PIK3CDDPP4
SCHEMBL24711921 0.73 P2RX7 (0.43) P2RX7BRD4BRD2PIK3CDDPP4
SCHEMBL11187153 0.73 P2RX7 (0.50) P2RX7BRD4BRD2PIK3CDDPP4
SCHEMBL23153416 0.73 P2RX7 (0.46) P2RX7BRD4BRD2PIK3CDDPP4
SCHEMBL10274984 0.73 PIK3CD (0.44) P2RX7BRD4BRD2PIK3CDDPP4

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-116178345-B Substituted pyrimidinyl-pyridinyl-pyridone compound, and preparation method and application thereof 深圳信立泰药业股份有限公司 2024-08-13 CN disclosed
CN-116178345-A Substituted pyrimidinyl-pyridinyl-pyridone compound, and preparation method and application thereof 深圳信立泰药业股份有限公司 2023-05-30 CN disclosed