SCHEMBL5861834

SCHEMBL5861834

Nc1nc(N)c2c(Cn3c4ccccc4c4ccccc43)coc2n1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 2/20 0.46
▸ EGFR P00533 2/20 0.46
▸ KDR P35968 1/20 0.46

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
SCHEMBL5861793 0.74 SLC2A1 (0.38) DHFRKDR
SCHEMBL13833595 0.74 DHFR (0.46) DHFREGFRKDR
SCHEMBL5860427 0.73 DHFR (0.43) DHFREGFRKDR
SCHEMBL13833594 0.72 DHFR (0.47) DHFREGFRKDR
SCHEMBL6307851 0.71 DHFR (0.57) DHFR
SCHEMBL2915133 0.70 DHFR (0.46) DHFREGFRKDR
SCHEMBL6310645 0.70 DHFR (0.47) DHFREGFRKDR
SCHEMBL5861670 0.70 — —
SCHEMBL4871146 0.69 DHFR (0.47) DHFREGFRKDR
SCHEMBL6390073 0.68 DHFR (0.51) 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 disclosed
Send feedback