SCHEMBL23747997

SCHEMBL23747997

Cc1cc(CNc2cc(C)nc3c(I)c(C)nn23)ccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 4/20 0.55
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 4/20 0.47
RAB9A P51151 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 1/20 0.44
PDE2A O00408 2/20 0.43
GSK3B P49841 1/20 0.42
KMT2A Q03164 3/20 0.41
NPC1 O15118 2/20 0.41
NPY1R P25929 2/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 1/20 0.41
BRD4 O60885 1/20 0.40
GPR39 O43194 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 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
SCHEMBL29715028 1.00 PI4KB (0.55) PI4KBKDM4EALDH1A1MAPTRAB9A
SCHEMBL23747999 0.90 PI4KB (0.49) PI4KBKDM4EALDH1A1MAPTRAB9A
SCHEMBL29715030 0.90 PI4KB (0.49) PI4KBKDM4EALDH1A1MAPTRAB9A
SCHEMBL29715021 0.78 PI4KB (0.62) PI4KBKDM4EALDH1A1MAPTRAB9A
SCHEMBL23024624 0.78 PI4KB (0.62) PI4KBKDM4EALDH1A1MAPTRAB9A
SCHEMBL31087417 0.78 PI4KB (0.47) PI4KBKDM4EALDH1A1MAPTRAB9A
SCHEMBL20533900 0.76 PI4KB (0.51) PI4KBKDM4EALDH1A1MAPTRAB9A
SCHEMBL23747995 0.72 KDM4E (0.46) PI4KBKDM4EALDH1A1MAPTRAB9A
SCHEMBL23012135 0.71 CYP1A2 (0.37) PI4KBKDM4EALDH1A1MAPTRAB9A
SCHEMBL23012288 0.70 PI4KB (0.53) PI4KBKDM4EALDH1A1MAPTRAB9A

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