SCHEMBL10507451

SCHEMBL10507451

C=C(C)CNc1cc(C)nc2cn[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.47
▸ OPRK1 P41145 1/20 0.34
▸ CYP2C19 P33261 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ PTK2 Q05397 1/20 0.33
▸ NQO2 P16083 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TDO2 P48775 2/20 0.30
▸ IDO1 P14902 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
SCHEMBL10803018 0.81 SLC2A1 (0.52) SLC2A1CYP2C19HTTPTK2NQO2
SCHEMBL10507503 0.80 CYP2C19 (0.52) SLC2A1CYP2C19HTTPTK2NQO2
SCHEMBL10506617 0.79 SLC2A1 (0.48) SLC2A1OPRK1CYP2C19HTTPTK2
SCHEMBL10507638 0.78 SLC2A1 (0.47) SLC2A1CYP2C19NQO2KDM4EALDH1A1
SCHEMBL10804993 0.77 SLC2A1 (0.49) SLC2A1CYP2C19HTTPTK2NQO2
SCHEMBL10801118 0.76 SLC2A1 (0.48) SLC2A1CYP2C19HTTNQO2ALDH1A1
SCHEMBL10506660 0.76 TGFBR1 (0.40) HTTPTK2
SCHEMBL18879034 0.76 SLC2A1 (0.56) SLC2A1HTTPTK2NQO2KDM4E
SCHEMBL10506904 0.75 NCF1 (0.56) SLC2A1CYP2C19NQO2KDM4EALDH1A1
SCHEMBL10805500 0.74 SLC2A1 (0.49) SLC2A1CYP2C19HTTKDM4EALDH1A1

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-0152910-B1 PYRAZOLOPYRIDINE DERIVATIVES BEECHAM GROUP PLC (GB) 1989-07-12 — — EP disclosed
US-4670432-A Pyrazolopyridine derivatives useful in treating inflammation and allergic conditions BEECHAM GROUP P.L.C. (GB) 1987-06-02 — — US disclosed
EP-0152910-A2 pyrazolopyridine derivatives BEECHAM GROUP PLC (GB) 1985-08-28 — — EP disclosed
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