SCHEMBL5800712

SCHEMBL5800712

O=c1ccn(Cc2ccccc2)c(=O)n1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
GSK3A P49840 3/20 0.48
GSK3B P49841 3/20 0.48
MAPK14 Q16539 1/20 0.47
CYP2D6 P10635 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP3A4 P08684 1/20 0.45
CCNB2 O95067 1/20 0.45
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
CCNB3 Q8WWL7 1/20 0.45
P2RX4 Q99571 1/20 0.44
AKR1B10 O60218 1/20 0.44
AKR1B1 P15121 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP2C19 P33261 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
SCHEMBL5482630 0.91 HPGD (0.49) HPGDGSK3AGSK3BMAPK14CYP2D6
SCHEMBL5481632 0.85 P2RX4 (0.52) SMN1; SMN2P2RX4AKR1B10AKR1B1CYP2C19
SCHEMBL7830409 0.84 MAPK14 (0.44) HPGDGSK3AGSK3BMAPK14CYP2D6
SCHEMBL25433184 0.82 MAPT (0.51) TP53CYP3A4AKR1B10AKR1B1CYP2C19
SCHEMBL4488624 0.80 YTHDC1 (0.44) HPGDMAPK14TP53SMN1; SMN2CYP3A4
SCHEMBL7466508 0.80 HPGD (0.55) HPGDGSK3AGSK3BSMN1; SMN2CYP3A4
SCHEMBL4494422 0.80 MAPK14 (0.46) HPGDGSK3AGSK3BMAPK14CYP2D6
SCHEMBL1584773 0.80 HPGD (0.47) HPGDGSK3AGSK3BKDM4ESMN1; SMN2
SCHEMBL9118024 0.80 CYP3A4 (0.51) HPGDGSK3AGSK3BMAPK14CYP2D6
SCHEMBL7750738 0.80 HPGD (0.51) HPGDGSK3AGSK3BKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108341771-B Preparation method of 3-cyano-2, 6-dihydroxypyridine sodium hydrate 浙江九洲药业股份有限公司 2021-05-11 CN disclosed
WO-2006070292-A2 PYRIMIDINE COMPOUNDS AS ANTI-ICTOGENIC AND/OR ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (US) 2006-07-06 WO disclosed
US-4171429-A Pyrimidine to pyrimidine transformation process RESEARCH CORPORATION (US) 1979-10-16 US disclosed