SCHEMBL6818894

SCHEMBL6818894

COc1ccc(-c2ccnc3c2nc(C)c(=O)n3CCCC2CC2)c(C)n1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.43

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
SCHEMBL6818492 0.97 PIK3CA (0.42) PIK3CA
SCHEMBL6814390 0.86 PIK3CA (0.42) PIK3CA
SCHEMBL6813703 0.85 PDE4B (0.43)
SCHEMBL6814575 0.83
SCHEMBL6815529 0.82
SCHEMBL6821556 0.81
SCHEMBL6817757 0.81
SCHEMBL6814847 0.81
SCHEMBL6818268 0.81
SCHEMBL6818951 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004031189-A1 PYRIDINO AND PYRIMIDINO PYRAZINONES FOR TREATMENT OF ANXIETY AND DEPRESSION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2004-04-15 WO claimed
WO-2004031189-A1 PYRIDINO AND PYRIMIDINO PYRAZINONES FOR TREATMENT OF ANXIETY AND DEPRESSION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2004-04-15 WO disclosed