SCHEMBL23779081

SCHEMBL23779081

CC1Cn2nc(N)cc2CN1C(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 5/20 0.47
▸ AKR1C3 P42330 9/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GRM5 P41594 3/20 0.41
▸ FLT3 P36888 1/20 0.39
▸ PRMT5 O14744 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39

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
SCHEMBL23779040 0.84 HRH4 (0.47) HRH4GRM5FLT3
SCHEMBL23779098 0.78 HRH4 (0.56) HRH4AKR1C3HRH3POLBSMN1; SMN2
SCHEMBL29519285 0.78 HRH4 (0.56) HRH4AKR1C3HRH3POLBSMN1; SMN2
SCHEMBL24319821 0.77 POLB (0.39) HRH4AKR1C3POLBSMN1; SMN2
SCHEMBL23779097 0.76 AKR1C3 (0.40) HRH4AKR1C3POLBSMN1; SMN2GRM5
SCHEMBL29465496 0.73 HRH4 (0.55) HRH4AKR1C3HRH3POLBSMN1; SMN2
SCHEMBL22615154 0.73 HRH4 (0.55) HRH4AKR1C3HRH3POLBSMN1; SMN2
SCHEMBL22395853 0.72 SCN4A (0.53) HRH4AKR1C3HRH3POLBSMN1; SMN2
Potassium Ion SCHEMBL22615265 0.72 HRH4 (0.54) HRH4AKR1C3HRH3POLBSMN1; SMN2
Potassium Ion SCHEMBL29465485 0.72 HRH4 (0.54) HRH4AKR1C3HRH3POLBSMN1; 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 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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