SCHEMBL2097436

SCHEMBL2097436

Nc1nc2nc(-c3cc(Br)cs3)[nH]c2c(=O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 6/20 0.52
FGFR2 P21802 6/20 0.52
PNP P00491 9/20 0.51
FGFR3 P22607 1/20 0.46
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL3310021 0.75 FGFR1 (0.73) FGFR1FGFR2PNPFGFR3KDM4E
SCHEMBL5084758 0.75 PNP (0.67) FGFR1FGFR2PNPKDM4EMEN1
8-Aminoguanine SCHEMBL21761 0.71 PNP (1.00) FGFR1FGFR2PNPKDM4EMEN1
SCHEMBL9116 0.70 PNP (0.73) FGFR1FGFR2PNPFGFR3KDM4E
SCHEMBL10644156 0.69 PNP (0.59) FGFR1FGFR2PNPFGFR3KDM4E
SCHEMBL1286943 0.69 FGFR1 (1.00) FGFR1FGFR2PNPMEN1ALDH1A1
SCHEMBL7875967 0.67 FGFR1 (0.69) FGFR1FGFR2PNPFGFR3KDM4E
SCHEMBL1286938 0.67 FGFR1 (0.72) FGFR1FGFR2PNPFGFR3KDM4E
SCHEMBL15542828 0.66 FGFR1 (0.70) FGFR1FGFR2PNPFGFR3KDM4E
SCHEMBL11610791 0.66 FGFR1 (0.62) FGFR1FGFR2PNPFGFR3KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730298-B1 SPECIFIC SUBSTRATES FOR O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE EPFL ECOLE POLYTECHNIQUE FÉDÉRALE DE LAUSANNE (CH) 2015-11-11 EP disclosed
US-8163479-B2 Specific substrates for O6-alkylguanine-DNA alkyltransferase ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2012-04-24 US disclosed