SCHEMBL5553641

SCHEMBL5553641

O=[N+]([O-])c1ccc2[nH]nc(Cc3ccccc3)c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.63
HPGD P15428 1/20 0.63
CDK2 P24941 1/20 0.59
CNR2 P34972 3/20 0.52
CNR1 P21554 1/20 0.52
RIPK1 Q13546 1/20 0.51
PARP1 P09874 4/20 0.48
AR P10275 1/20 0.48
CTSV O60911 3/20 0.46
CTSL P07711 3/20 0.46
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44

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
SCHEMBL4050016 0.86 HPGD (0.50) MAPTHPGDCDK2CNR2CNR1
SCHEMBL14979171 0.83 MEN1 (0.55) MAPTHPGDCDK2CNR2CNR1
SCHEMBL2468319 0.82 MAPT (0.54) MAPTHPGDCDK2CNR2CNR1
SCHEMBL3346790 0.80 MAPT (0.57) MAPTHPGDCDK2CNR2CNR1
Iodide SCHEMBL5922463 0.80 MAPT (0.57) MAPTHPGDCDK2CNR2CNR1
SCHEMBL11412120 0.80 CDK2 (0.57) MAPTHPGDCDK2CNR2CNR1
SCHEMBL761212 0.79 CDK2 (0.69) MAPTHPGDCDK2CNR2CNR1
SCHEMBL25223963 0.78 MAPT (0.55) MAPTHPGDCDK2CNR2CNR1
SCHEMBL3343737 0.78 MAPT (0.55) MAPTHPGDCDK2CNR2CNR1
SCHEMBL27751025 0.78 MAPT (0.55) MAPTHPGDCDK2CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569937-A4 C-6 MODIFIED INDAZOLYLPYRROLOTRIAZINES BRISTOL MYERS SQUIBB CO (US) 2007-08-08 EP disclosed
EP-1569937-A2 C-6 MODIFIED INDAZOLYLPYRROLOTRIAZINES Bristol-Myers Squibb Company (US) 2005-09-07 EP disclosed
WO-2004054514-A2 C-6 MODIFIED INDAZOLYLPYRROLOTRIAZINES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-07-01 WO disclosed