SCHEMBL10145836

SCHEMBL10145836

CCCCn1c(=O)n(C)c2cc(-c3cc(Oc4ccnc(N)c4)ccc3N)ccc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 7/20 0.39
PDE4B Q07343 2/20 0.37
BCL6 P41182 1/20 0.37
P2RX3 P56373 1/20 0.37
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TRIM24 O15164 1/20 0.34
HPD P32754 2/20 0.33
AXL P30530 1/20 0.33
DYRK1A Q13627 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
CDC7 O00311 1/20 0.32
PDE4A P27815 1/20 0.32
ADORA2A P29274 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL10146625 0.90 GRM2 (0.36) GRM2PDE4BBCL6P2RX3TSHR
SCHEMBL10146391 0.88 TRIM24 (0.40) GRM2P2RX3TRIM24HPDAXL
SCHEMBL10145837 0.86 PARG (0.42) GRM2P2RX3TRIM24AXL
SCHEMBL10145839 0.82 PIK3CA (0.44) GRM2AXL
SCHEMBL10146620 0.81 POLB (0.35) P2RX3TSHRMEN1KMT2AAXL
SCHEMBL10145941 0.77 GRM2 (0.47) GRM2TSHRMEN1KMT2AHPD
SCHEMBL10146645 0.76 GRM2 (0.49) GRM2
SCHEMBL10146007 0.74 GRM2 (0.43) GRM2
SCHEMBL10146656 0.74 GRM2 (0.59) GRM2TRIM24
SCHEMBL10146658 0.73 GRM2 (0.50) GRM2

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
WO-2012021382-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME CORP. (US) 2012-02-16 WO disclosed