SCHEMBL745097

SCHEMBL745097

Nc1c(C(=O)O)cccc1-c1ncnc2[nH]ncc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.43
LRRK2 Q5S007 3/20 0.43
PI4KA P42356 1/20 0.43
XDH P47989 1/20 0.43
PI4K2B Q8TCG2 1/20 0.43
PI4K2A Q9BTU6 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
CSF1R P07333 3/20 0.42
DAPK3 O43293 3/20 0.42
MAP4K4 O95819 3/20 0.42
CSNK1A1 P48729 3/20 0.42
PRKX P51817 3/20 0.42
CDK5 Q00535 3/20 0.42
CLK4 Q9HAZ1 3/20 0.42
PRKD3 O94806 2/20 0.42
PAK4 O96013 2/20 0.42
PIM1 P11309 2/20 0.42
PRKACA P17612 2/20 0.42
CLK2 P49760 2/20 0.42
GSK3B P49841 2/20 0.42

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
SCHEMBL3260282 0.90 BTK (0.47) RETLRRK2PI4KAXDHPI4K2B
SCHEMBL3260275 0.75 AURKA (0.46) RETLRRK2PI4KAXDHPI4K2B
SCHEMBL9851131 0.71 G6PD (0.65) MAPK1G6PDCASP7CASP6LMNA
SCHEMBL3677097 0.70 L3MBTL1 (0.46) RETLRRK2PI4KAXDHPI4K2B
SCHEMBL12590750 0.69 XDH (0.53) RETLRRK2PI4KAXDHPI4K2B
SCHEMBL31121562 0.69 XDH (0.53) RETLRRK2PI4KAXDHPI4K2B
SCHEMBL29761062 0.69 TRPA1 (0.47) RETLRRK2PI4KAXDHPI4K2B
SCHEMBL19575560 0.68 RET (0.40) RETLRRK2PI4KAXDHPI4K2B
SCHEMBL15477778 0.68 G6PD (0.49) MAPK1G6PDCASP7CASP6LMNA
SCHEMBL17744802 0.68 G6PD (0.61) MAPK1G6PDCASP7CASP6LMNA

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
US-8138356-B2 Chemical inhibitors of inhibitors of differentiation Angiogeney, Inc. (US) 2012-03-20 US disclosed