SCHEMBL31214331

SCHEMBL31214331

O=c1[nH]c2ccc(F)cc2nc1N1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.52
PIK3CD O00329 5/20 0.47
PIK3CB P42338 5/20 0.47
HTR3A P46098 1/20 0.47
TP53 P04637 1/20 0.45
PIK3CA P42336 1/20 0.44
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GRIA1 P42261 3/20 0.43
BRD4 O60885 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL31214374 0.84 HRH4 (0.52) HRH4PIK3CDPIK3CBHTR3ATP53
SCHEMBL604887 0.84 HRH4 (0.73) HRH4HTR3ABRD4
SCHEMBL31214382 0.81 HTR3A (0.70) HRH4PIK3CDPIK3CBHTR3ATP53
SCHEMBL31214506 0.76 PIK3CA (0.58) HRH4PIK3CDPIK3CBHTR3ATP53
SCHEMBL2702556 0.74 PIK3CD (0.84) PIK3CDPIK3CBPIK3CA
SCHEMBL31214318 0.73 PIK3CD (0.61) HRH4PIK3CDPIK3CBHTR3APIK3CA
SCHEMBL3381705 0.72 FGFR1 (0.72)
SCHEMBL29236885 0.71 PIK3CD (0.51) PIK3CDPIK3CBPIK3CAPOLBNPC1
SCHEMBL29778147 0.70 KDM4E (0.49) NPC1RAB9ABRD4MAPK1
SCHEMBL603776 0.69 HRH4 (0.74) HRH4HTR3ATP53

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
CN-118994040-A Method for preparing 3-aminoquinoxaline-2 (1H) -ketone compound by photocatalysis 南京工业大学 2024-11-22 CN disclosed