SCHEMBL23747995

SCHEMBL23747995

Cc1cc(NC(=O)O)n2nc(C)c(I)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
ALDH1A1 P00352 7/20 0.46
MAPT P10636 5/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 1/20 0.46
ATM Q13315 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPK1 P28482 1/20 0.43
HPGD P15428 3/20 0.42
POLB P06746 1/20 0.42
PI4KB Q9UBF8 1/20 0.40
RAB9A P51151 2/20 0.39
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
NPY1R P25929 1/20 0.38
HTR6 P50406 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL31275758 0.83 BRD9 (0.39) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL23012135 0.73 CYP1A2 (0.37) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL546527 0.73 PDE2A (0.40) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL23747997 0.72 PI4KB (0.55) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL29715028 0.72 PI4KB (0.55) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL20529181 0.72 MAPT (0.56) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL30083368 0.72 KDM4E (0.47) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL2496473 0.71 TSHR (0.36) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL23747999 0.70 PI4KB (0.49) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL29715030 0.70 PI4KB (0.49) KDM4EALDH1A1MAPTMEN1KMT2A

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
EP-3864017-A1 2,6-DIMETHYL-N-((PYRIDIN-4-YL)METHYL)IMIDAZO[1,2-B]PYRIDAZIN-8-AMINE AND 2,5-DIMETHYL-N-[(PYRIDIN-4-YL)METHYL]PYRAZOLO[1,5-A]PYRIMIDIN-7-AMINE DERIVATIVES FOR TREATING VIRAL INFECTIONS CUROVIR AB (SE) 2021-08-18 EP disclosed