SCHEMBL20703976

SCHEMBL20703976

O=c1cnc2ncccc2n1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 4/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ HTR3E A5X5Y0 1/20 0.33
▸ HTR3B O95264 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR3A P46098 1/20 0.33
▸ HTR3D Q70Z44 1/20 0.33
▸ HTR3C Q8WXA8 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.32
▸ GABRP O00591 1/20 0.32
▸ GABRD O14764 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRB1 P18505 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32

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
SCHEMBL2359406 0.77 KDM4E (0.51) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL4143598 0.73 ALDH1A1 (0.38) DAOALDH1A1KDM4EHPGDKMT2A
SCHEMBL28014515 0.72 RPS6KA5 (0.47) KDM4E
SCHEMBL8312594 0.71 KDM4E (0.66) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL4135731 0.68 ALDH1A1 (0.43) DAOALDH1A1KDM4EHPGDKMT2A
SCHEMBL1446732 0.68 LTA4H (0.38) DAOALDH1A1KMT2AMEN1HTR3E
SCHEMBL2299818 0.68 KMT2A (0.45) ALDH1A1KDM4EKMT2AMEN1HTR3E
SCHEMBL10681757 0.62 GABRA5 (0.36) ALDH1A1KDM4EHPGDKMT2AHTR3E
SCHEMBL5571659 0.62 PARP1 (0.47) DAOKDM4EKMT2AMEN1LMNA
SCHEMBL11301840 0.62 IDO1 (0.49) ALDH1A1

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
EP-3661936-A1 [1,2,4]TRIAZOLO[4,3-A]PYRAZIN-6(5H)-ONE DERIVATIVES Eli Lilly and Company (US) 2020-06-10 — — EP disclosed
WO-2019027783-A1 [1,2,4]TRIAZOLO[4,3-A]PYRAZIN-6(5H)-ONE DERIVATIVES ELI LILLY AND COMPANY (US) 2019-02-07 — — WO disclosed
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