SCHEMBL5860792

SCHEMBL5860792

Nc1nc(N)c2nc(CN3c4ccccc4C=Cc4ccccc43)ccc2n1

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHFR P00374 5/20 0.53

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
SCHEMBL5860706 0.83 DHFR (0.51) DHFR
SCHEMBL30947426 0.80 DHFR (0.48) DHFR
SCHEMBL5860734 0.80 DHFR (0.48) DHFR
SCHEMBL5862719 0.75 DHFR (0.49) DHFR
SCHEMBL5860404 0.73 DHFR (0.55) DHFR
SCHEMBL5860508 0.70 DHFR (0.67) DHFR
SCHEMBL6304549 0.69 DHFR (0.60) DHFR
SCHEMBL15075240 0.69 DHFR (0.69) DHFR
SCHEMBL6310626 0.69 DHFR (0.59) DHFR
Bromide SCHEMBL5861857 0.67 DHFR (0.59) DHFR

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
US-7056911-B1 Dibenz[B,F]azepine compounds, pharmaceutical compositions comprising same and methods of use thereof DANA-FARBER CANCER INSTITUTE (US) 2006-06-06 US claimed