SCHEMBL21722360

SCHEMBL21722360

O=C(Nn1cccn1)c1cnccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
MCL1 Q07820 1/20 0.47
KDM4E B2RXH2 4/20 0.46
ALOX15 P16050 3/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 2/20 0.46
HTT P42858 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
HPGD P15428 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
TSHR P16473 2/20 0.44
ADORA3 P0DMS8 1/20 0.44
MC4R P32245 1/20 0.44
ADRA1A P35348 1/20 0.44
MC3R P41968 1/20 0.44

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
SCHEMBL28309775 0.79 KDM4E (0.44) SMN1; SMN2MCL1KDM4ENAPRTHCAR2
SCHEMBL2884583 0.79 PTGS2 (0.50) SMN1; SMN2KDM4ELMNAHTTNAPRT
SCHEMBL21722470 0.76 NPC1 (0.50) SMN1; SMN2MCL1KDM4EALOX15LMNA
SCHEMBL5062627 0.73 KDM4E (0.61) SMN1; SMN2MCL1KDM4ENAPRTHCAR2
SCHEMBL28145052 0.72 SMN1; SMN2 (0.53) SMN1; SMN2KDM4ETP53HTTNAPRT
SCHEMBL1412848 0.71 KDM4E (0.59) SMN1; SMN2MCL1KDM4ENAPRTHCAR2
SCHEMBL28157909 0.71 SMN1; SMN2 (0.55) SMN1; SMN2KDM4ELMNATP53HTT
SCHEMBL21722320 0.71 RAB9A (0.51) SMN1; SMN2KDM4EHPGDNPC1RAB9A
SCHEMBL3715797 0.70 KDM4E (0.57) SMN1; SMN2MCL1KDM4ETP53NAPRT
SCHEMBL12974166 0.70 KDM4E (0.57) SMN1; SMN2MCL1KDM4ENAPRTHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3837250-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD (CN) 2021-06-23 EP claimed
WO-2020035052-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2020-02-20 WO claimed
EP-3837250-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD (CN) 2021-06-23 EP disclosed
WO-2020035052-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2020-02-20 WO disclosed