SCHEMBL23779131

SCHEMBL23779131

O=C(c1cc2c(F)cc(F)cc2[nH]1)N1CCn2nc(NS(=O)(=O)C3CC3)cc2C1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 5/20 0.36
▸ MMP9 P14780 1/20 0.35
▸ GRM5 P41594 8/20 0.34
▸ POLB P06746 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ KIT P10721 1/20 0.33

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
SCHEMBL23779078 0.91 HRH4 (0.36) HRH4GRM5POLBKCNH2KIT
SCHEMBL23779140 0.90 GRM5 (0.33) HRH4GRM5POLB
SCHEMBL23779087 0.85 HRH4 (0.41) HRH4GRM5KCNH2
SCHEMBL23779129 0.81 HRH4 (0.51) HRH4GRM5
SCHEMBL23779103 0.81 HDAC6 (0.50) HRH4POLB
SCHEMBL23779084 0.80 MAPK10 (0.39) HRH4MMP9POLB
SCHEMBL23779137 0.80 HRH4 (0.39) HRH4
SCHEMBL23779100 0.80 HRH4 (0.42) HRH4GRM5KCNH2
SCHEMBL23779073 0.79 MMP9 (0.34) HRH4MMP9GRM5KCNH2
SCHEMBL23779079 0.77 HDAC6 (0.48) HRH4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3873910-A1 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AiCuris GmbH & Co. KG (DE) 2021-09-08 — — EP disclosed
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