SCHEMBL10488591

SCHEMBL10488591

Cc1[nH]nc(NC(C)(C)C)c1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PDE4D Q08499 1/20 0.36
DAO P14920 1/20 0.35
CSNK2A2 P19784 1/20 0.33
KDR P35968 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
NOTUM Q6P988 1/20 0.32
MAPK1 P28482 1/20 0.32
GAA P10253 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
LMNA P02545 2/20 0.31
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HSP90AA1 P07900 1/20 0.31

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
SCHEMBL10508387 0.83 GAA (0.44) SMN1; SMN2PDE4DCSNK2A2KDRCSNK2B
SCHEMBL10488611 0.82 SMN1; SMN2 (0.36) HCAR2SMN1; SMN2PDE4DDAOCSNK2A2
SCHEMBL10488515 0.79 HCAR2 (0.41) HCAR2SMN1; SMN2PDE4DDAOCSNK2A2
SCHEMBL10488639 0.79 PDE4D (0.61) SMN1; SMN2PDE4DMAPK1GAAKMT2A
SCHEMBL10488484 0.75 LRRK2 (0.41) HCAR2SMN1; SMN2PDE4DDAONOTUM
SCHEMBL10488456 0.75 SMN1; SMN2 (0.50) HCAR2SMN1; SMN2PDE4DDAOMAPK1
SCHEMBL11149734 0.74 SMN1; SMN2 (0.46) SMN1; SMN2CSNK2A2KDRCSNK2BCSNK2A1
SCHEMBL10488947 0.72 LRRK2 (0.43) HCAR2SMN1; SMN2PDE4DDAOMAPK1
SCHEMBL10488470 0.72 SMN1; SMN2 (0.48) HCAR2SMN1; SMN2PDE4DCSNK2A2KDR
SCHEMBL10488584 0.71 HCAR3 (0.48) HCAR2SMN1; SMN2PDE4DDAOKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4871737-A 3-Amino-5-methyl-1H-pyrazole-4-carboxylic acids and esters thereof as anticonvulsants muscle relaxants and anxiolytics A. H. ROBINS COMPANY, INCORPORATED (US) 1989-10-03 US disclosed
EP-0315433-A2 3-amino-5-methyl-1H-pyrazole-4-carboxylic acids and esters thereof as anticonvulsants, muscle relaxants and anxiolytics A.H. ROBINS COMPANY, INCORPORATED (US) 1989-05-10 EP disclosed
US-4826866-A 3-amino-5-methyl-1H-pyrazole-4-carboxylic acids and esters thereof as anticonvulsants, muscle relaxants and anxiolytics A. H. ROBINS COMPANY, INCORPORATED (US) 1989-05-02 US disclosed