SCHEMBL21722320

SCHEMBL21722320

Cc1ccnn1NC(=O)c1cnccn1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.51
NPC1 O15118 10/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
KDM4E B2RXH2 3/20 0.46
GAA P10253 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 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
SCHEMBL21722470 0.72 NPC1 (0.50) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL28145052 0.72 SMN1; SMN2 (0.53) RAB9ANPC1SMN1; SMN2KDM4EHPGD
SCHEMBL28157909 0.71 SMN1; SMN2 (0.55) RAB9ANPC1SMN1; SMN2KDM4EHPGD
SCHEMBL21722360 0.71 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL2310303 0.70 KDM4E (0.59) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL30586327 0.70 KDM4E (0.59) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL28309775 0.70 KDM4E (0.44) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL5062627 0.69 KDM4E (0.61) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL1412848 0.68 KDM4E (0.59) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL18027795 0.68 NPC1 (1.00) RAB9ANPC1SMN1; SMN2KMT2AMEN1

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