SCHEMBL23779076

SCHEMBL23779076

O=C(Nc1cc2n(n1)CCN(C(=O)c1cc3c(Cl)cccc3[nH]1)C2)C1CCOC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 7/20 0.48
▸ DRD2 P14416 2/20 0.41
▸ DRD3 P35462 2/20 0.41
▸ SYK P43405 1/20 0.40
▸ PIP5K1C O60331 5/20 0.40
▸ PIK3CA P42336 5/20 0.40
▸ MAPK8 P45983 2/20 0.38
▸ MAPK10 P53779 2/20 0.38
▸ MAPK14 Q16539 2/20 0.38
▸ PIP5K1B O14986 1/20 0.38
▸ PIP5K1A Q99755 1/20 0.38
▸ PTGER1 P34995 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ GRM5 P41594 1/20 0.36
▸ NAMPT P43490 1/20 0.35

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
SCHEMBL23779092 0.90 SYK (0.42) HRH4SYKPIP5K1CPIK3CAMAPK8
SCHEMBL23779042 0.89 POLB (0.38) HRH4PIP5K1CPIK3CAMAPK8MAPK10
SCHEMBL23779091 0.88 POLB (0.43) HRH4PIP5K1CPIK3CAMAPK8MAPK10
SCHEMBL23779102 0.87 POLB (0.48) HRH4PIP5K1CPIK3CAMAPK8MAPK10
SCHEMBL23779059 0.86 HRH4 (0.46) HRH4DRD2DRD3SYKMAPK14
SCHEMBL23779128 0.86 HRH4 (0.39) HRH4DRD2DRD3SYKPIP5K1C
SCHEMBL23779084 0.84 MAPK10 (0.39) HRH4PIP5K1CPIK3CAMAPK8MAPK10
SCHEMBL23779075 0.83 POLB (0.53) HRH4MAPK14POLBNAMPT
SCHEMBL23779068 0.81 HRH4 (0.51) HRH4DRD2DRD3MAPK14GRM5
SCHEMBL23779129 0.81 HRH4 (0.51) HRH4DRD2DRD3MAPK14GRM5

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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