SCHEMBL5861648

SCHEMBL5861648

Nc1nc(N)c2nc(CN(c3ccccc3)c3ccccc3)cnc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHFR P00374 6/20 0.57

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
SCHEMBL480692 0.88 CA1 (0.61) DHFR
SCHEMBL4685928 0.86 DHFR (0.61) DHFR
SCHEMBL11664759 0.84 DHFR (0.78) DHFR
SCHEMBL4814896 0.80 DHFR (0.70) DHFR
SCHEMBL4695063 0.79 DHFR (0.62) DHFR
SCHEMBL13598112 0.78 DHFR (0.57) DHFR
SCHEMBL14100003 0.77 DHFR (0.62) DHFR
SCHEMBL5860508 0.77 DHFR (0.67) DHFR
SCHEMBL11632935 0.77 DHFR (0.62) DHFR
SCHEMBL11630631 0.75 DHFR (0.56) 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