SCHEMBL14765496

SCHEMBL14765496

Cc1nn2nc(C(C)(C)C)c(N=Nc3[nH]nc(-c4ccccc4)c3C#N)c2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 1/20 0.33
ADORA1 P30542 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
ALDH1A1 P00352 2/20 0.32
ADORA2A P29274 2/20 0.32
HPGD P15428 1/20 0.32
PKM P14618 1/20 0.31
TSHR P16473 1/20 0.31
ADORA2B P29275 1/20 0.31
ATM Q13315 1/20 0.30

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
SCHEMBL13460184 1.00 GRM5 (0.35) GRM5MEN1KMT2ATDP1L3MBTL1
SCHEMBL14765510 0.89 MEN1 (0.37) GRM5MEN1KMT2ATDP1L3MBTL1
SCHEMBL14765513 0.89 GRM5 (0.35) GRM5MEN1KMT2ATDP1L3MBTL1
SCHEMBL13460195 0.85
SCHEMBL13460249 0.85
SCHEMBL13432937 0.83 MEN1 (0.37) GRM5MEN1KMT2ATDP1L3MBTL1
SCHEMBL13460186 0.75 GRM5 (0.33) GRM5MEN1KMT2AALDH1A1ADORA2A
SCHEMBL14765495 0.74
SCHEMBL13416956 0.74
SCHEMBL12809499 0.74 PKM (0.33) PKM

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-8394481-B2 Optical information recording medium and azo metal complex dye FUJIFILM CORPORATION (JP) 2013-03-12 US disclosed