SCHEMBL2562945

SCHEMBL2562945

N=C(N)Nn1cnc2c(=O)[nH]c(=O)[nH]c21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 1/20 0.38
▸ GDA Q9Y2T3 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.31
▸ RPS6KA3 P51812 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ PABPC1 P11940 1/20 0.30
▸ ADORA2A P29274 1/20 0.30
▸ ADORA2B P29275 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ BLM P54132 1/20 0.30
▸ CASP7 P55210 1/20 0.30
▸ PMP22 Q01453 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL28383481 0.87 PNP (0.38) PNPGDAALDH1A1RPS6KA3KDM4E
SCHEMBL9515053 0.76 GDA (0.41) PNPGDAALDH1A1RPS6KA3KDM4E
SCHEMBL6555066 0.72 PNP (0.40) PNPGDAALDH1A1RPS6KA3KDM4E
SCHEMBL2837687 0.71 PNP (0.41) PNPGDAALDH1A1RPS6KA3KDM4E
SCHEMBL618978 0.71 PNP (0.44) PNPGDAALDH1A1RPS6KA3KDM4E
SCHEMBL133948 0.71 PNP (0.41) PNPGDAALDH1A1KDM4ECYP1A2
SCHEMBL9669020 0.71 PNP (0.35) PNPGDAALDH1A1KDM4ECYP1A2
SCHEMBL2352519 0.70 PNP (0.43) PNPGDAALDH1A1RPS6KA3KDM4E
Hydrochloric Acid SCHEMBL28403441 0.69 PNP (0.43) PNPGDAALDH1A1RPS6KA3KDM4E
Hydrochloric Acid SCHEMBL7296125 0.69 PNP (0.40) PNPGDAALDH1A1KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2383262-B1 PHENYL PYRIMIDONE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, PREPARATION METHODS AND USES THEREOF TOPHARMAN SHANGHAI CO LTD (CN) 2016-07-06 — — EP disclosed
CN-102216279-B Phenyl pyrimidone compounds, pharmaceutical compositions, preparation methods and uses thereof TOPHARMAN SHANGHAI Co.,Ltd. (CN) 2014-10-29 — — CN disclosed
US-8871777-B2 Phenylpyrimidone compounds, the pharmaceutical compositions, preparation methods and uses thereof TOPHARMAN SHANGHAI CO., LTD. (CN) 2014-10-28 — — US disclosed
CN-101456862-B Phenylguanidine derivates containing pyrazolo pyrimidinone, medicament composition thereof as well as preparation method and application thereof TOPHARMAN SHANGHAI CO LTD 2012-10-24 — — CN disclosed
EP-2383262-A1 PHENYL PYRIMIDONE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, PREPARATION METHODS AND USES THEREOF Topharman Shanghai Co., Ltd. (CN) 2011-11-02 — — EP disclosed
CN-102216279-A Phenyl pyrimidone compounds, pharmaceutical compositions, preparation methods and uses thereof TOPHARMAN SHANGHAI CO LTD 2011-10-12 — — CN disclosed
CN-101747282-A Phenyl pyrimidone compounds, pharmaceutical compositions and preparation methods and uses thereof TOPHARMAN SHANGHAI CO LTD 2010-06-23 — — CN disclosed
CN-101456862-A Phenylguanidine derivates containing pyrazolo pyrimidinone, medicament composition thereof as well as preparation method and application thereof SHANGHAI TOPHARMAN CO LTD (CN) 2009-06-17 — — CN disclosed
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