SCHEMBL5860256

SCHEMBL5860256

Nc1nc(N)c2c(CN3c4ccccc4Cc4ccccc43)csc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ NOD1 Q9Y239 1/20 0.33
▸ DHFR P00374 2/20 0.32
▸ SLC22A2 O15244 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ DRD1 P21728 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ OPRM1 P35372 1/20 0.32

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
SCHEMBL5861809 0.84 PRKD3 (0.33) —
SCHEMBL5860427 0.76 DHFR (0.43) DHFR
SCHEMBL5861793 0.73 SLC2A1 (0.38) DHFR
SCHEMBL5860717 0.70 NOD1 (0.38) NOD1SLC22A2HTR1AADRA2AGABRA1
SCHEMBL5860520 0.68 DHFR (0.39) DHFR
SCHEMBL5860706 0.68 DHFR (0.51) DHFR
SCHEMBL5860714 0.68 DHFR (0.46) NOD1DHFR
SCHEMBL5861630 0.66 DHFR (0.47) DHFR
SCHEMBL29637973 0.61 POLB (0.61) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL496680 0.61 POLB (0.61) MEN1KMT2AALDH1A1POLBMAPT

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
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