SCHEMBL9018625

SCHEMBL9018625

CN1C2=NCCN2C(=O)c2[nH]cnc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE4A P27815 2/20 0.32
HRH4 Q9H3N8 2/20 0.31
ATAD2 Q6PL18 1/20 0.30
KDM4A O75164 1/20 0.30
KDM4B O94953 1/20 0.30
KDM5C P41229 1/20 0.30
KDM5B Q9UGL1 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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
SCHEMBL9585832 0.88 PDE4A (0.36) ALDH1A1LMNAPOLBHPGDTSHR
SCHEMBL11089172 0.79 ADORA2A (0.36) ALDH1A1LMNATSHRMAPK1PDE4A
SCHEMBL6631440 0.76 LMNA (0.35) ALDH1A1LMNAPOLBTSHRMEN1
SCHEMBL10811499 0.67 GDA (0.38)
SCHEMBL31685332 0.66 MEN1 (0.34) ALDH1A1POLBMEN1BLMKMT2A
SCHEMBL10800120 0.63 MEN1 (0.49) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL2142794 0.63 MEN1 (0.34) ALDH1A1POLBMEN1BLMKMT2A
SCHEMBL9881673 0.63 BRPF1 (0.37) ALDH1A1MEN1BLMKMT2AATAD2
SCHEMBL9972890 0.62 TRPA1 (0.41) ALDH1A1LMNAPOLBHPGDTSHR
SCHEMBL31685445 0.62 MEN1 (0.34) MEN1BLMKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8003168-A None JP disclosed
JP-H083168-A 4-METHYL-9H-IMIDAZO(1,2-A)PURIN-9-ONES YAMASA SHOYU CO LTD 1996-01-09 JP disclosed