SCHEMBL6998299

SCHEMBL6998299

CC(=O)Nc1c(C#N)ncn1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MITF O75030 1/20 0.42
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ CTSL P07711 1/20 0.40
▸ EGLN1 Q9GZT9 1/20 0.40

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
SCHEMBL7001057 0.87 FGFR1 (0.46) GAAKMT2AMEN1PKMTSHR
SCHEMBL7003709 0.86 ALDH1A1 (0.49) GAAPKMTSHRLMNAHTT
SCHEMBL7003613 0.85 ADORA1 (0.46) GAAPKMTSHRHTTCYP1A2
SCHEMBL7002481 0.83 TSHR (0.48) GAAPKMTSHRHTTHPGD
SCHEMBL7002759 0.82 TSHR (0.44) KMT2AMEN1TSHRHTTSMN1; SMN2
SCHEMBL20343821 0.82 GAA (0.46) GAAKMT2AMEN1PKMTSHR
SCHEMBL7002343 0.81 EPHX2 (0.46) KMT2AMEN1TSHRALDH1A1
SCHEMBL6995177 0.81 EPHX2 (0.46) KMT2AMEN1TSHRALDH1A1
SCHEMBL6997991 0.81 ALDH1A1 (0.52) KMT2AMEN1LMNAHTTCYP1A2
SCHEMBL27970810 0.78 NOTUM (0.44) GAAKMT2AMEN1PKMTSHR

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
EP-1069126-B1 TRIAZOLOPURINE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE DERIVATIVES, ADENOSINE A3 RECEPTOR COMPATIBILIZING AGENT, AND ASTHMATIC REMEDY OTSUKA PHARMA CO LTD (JP) 2003-05-28 — — EP disclosed
US-6288070-B1 Triazolopurine derivatives, medicinal composition containing the derivatives, adenosine A3 receptor compatibilizing agent, and asthmatic remedy OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-09-11 — — US disclosed
EP-1069126-A1 TRIAZOLOPURINE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE DERIVATIVES, ADENOSINE A3 RECEPTOR COMPATIBILIZING AGENT, AND ASTHMATIC REMEDY OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-01-17 — — EP disclosed
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