SCHEMBL23779078

SCHEMBL23779078

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

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 5/20 0.36
▸ GRM5 P41594 7/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ POLB P06746 1/20 0.33
▸ KIT P10721 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ MAP2K4 P45985 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
SCHEMBL23779131 0.91 HRH4 (0.36) HRH4GRM5KCNH2POLBKIT
SCHEMBL23779140 0.88 GRM5 (0.33) HRH4GRM5POLBMEN1KMT2A
SCHEMBL23779129 0.87 HRH4 (0.51) HRH4GRM5MEN1KMT2ARXFP1
SCHEMBL23779087 0.85 HRH4 (0.41) HRH4GRM5KCNH2MEN1KMT2A
SCHEMBL23779042 0.81 POLB (0.38) HRH4GRM5KCNH2POLBKMT2A
SCHEMBL23779137 0.80 HRH4 (0.39) HRH4
SCHEMBL23779111 0.80 MAPK1 (0.33) HRH4GRM5KCNH2MEN1KMT2A
SCHEMBL23779103 0.79 HDAC6 (0.50) HRH4POLBMEN1KMT2A
SCHEMBL23779101 0.76 POLB (0.51) HRH4POLBMEN1KMT2A
SCHEMBL23779079 0.76 HDAC6 (0.48) HRH4POLBMEN1KMT2A

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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