SCHEMBL5861630

SCHEMBL5861630

Nc1nc(N)c2nc(CN3c4ccccc4Cc4ccccc43)cnc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.47

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
SCHEMBL30854161 0.93 DHFR (0.47) DHFR
SCHEMBL30947426 0.84 DHFR (0.48) DHFR
SCHEMBL5860734 0.84 DHFR (0.48) DHFR
SCHEMBL5860738 0.83 DHFR (0.47) DHFR
SCHEMBL5860519 0.83
SCHEMBL5860706 0.80 DHFR (0.51) DHFR
SCHEMBL5860773 0.78 DHFR (0.49) DHFR
SCHEMBL5860472 0.73 DHFR (0.56) DHFR
SCHEMBL5860717 0.72 NOD1 (0.38)
SCHEMBL7490302 0.71 DHFR (0.43) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002541144-A 2002-12-03 JP claimed
EP-1154997-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE THEREOF DANA FARBER CANCER INST INC (US) 2002-11-04 EP claimed
EP-1154997-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2001-11-21 EP claimed
WO-2000059884-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2000-10-12 WO claimed
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
EP-1154997-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE THEREOF DANA FARBER CANCER INST INC (US) 2002-11-04 EP disclosed
EP-1154997-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2001-11-21 EP disclosed
WO-2000059884-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2000-10-12 WO disclosed