SCHEMBL10804993

SCHEMBL10804993

Cc1cc(NCC(C)C)c2[nH]ncc2n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.49
▸ ESR1 P03372 4/20 0.36
▸ TLR7 Q9NYK1 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ PTK2 Q05397 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KDM6B O15054 1/20 0.32
▸ KDM4C Q9H3R0 1/20 0.32
▸ CYP2C19 P33261 1/20 0.31
▸ NQO2 P16083 3/20 0.31
▸ NCF1 P14598 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ RIPK1 Q13546 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 0.83 SLC2A1 (0.52) SLC2A1HTTPTK2KMT2ACYP2C19
SCHEMBL10846163 0.81 TLR7 (0.57) SLC2A1ESR1TLR7HTTCYP2C19
SCHEMBL10507503 0.79 CYP2C19 (0.52) SLC2A1HTTPTK2MEN1KMT2A
SCHEMBL10506617 0.78 SLC2A1 (0.48) SLC2A1HTTPTK2MEN1KMT2A
SCHEMBL10801118 0.78 SLC2A1 (0.48) SLC2A1HTTSMN1; SMN2CYP2C19NQO2
SCHEMBL18879034 0.78 SLC2A1 (0.56) SLC2A1HTTPTK2NQO2
SCHEMBL10507451 0.77 SLC2A1 (0.47) SLC2A1HTTPTK2CYP2C19NQO2
SCHEMBL10506904 0.77 NCF1 (0.56) SLC2A1MEN1KMT2ACYP2C19NQO2
SCHEMBL10507638 0.77 SLC2A1 (0.47) SLC2A1MEN1KMT2ACYP2C19NQO2
SCHEMBL10805500 0.76 SLC2A1 (0.49) SLC2A1HTTMEN1KMT2ASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0119774-B1 ANTI-INFLAMMATORY PYRAZOLO PYRIDINES BEECHAM GROUP PLC (GB) 1987-06-24 — — EP claimed
US-4559348-A SKIN DISORDERS BEECHAM GROUP, P.L.C. (GB) 1985-12-17 — — US claimed
EP-0119774-A1 Anti-inflammatory pyrazolo pyridines BEECHAM GROUP PLC (GB) 1984-09-26 — — EP claimed
EP-0119774-B1 ANTI-INFLAMMATORY PYRAZOLO PYRIDINES BEECHAM GROUP PLC (GB) 1987-06-24 — — EP disclosed
US-4559348-A SKIN DISORDERS BEECHAM GROUP, P.L.C. (GB) 1985-12-17 — — US disclosed
EP-0119774-A1 Anti-inflammatory pyrazolo pyridines BEECHAM GROUP PLC (GB) 1984-09-26 — — EP disclosed
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