SCHEMBL8891710

SCHEMBL8891710

CCC(Nc1nc(N)cc(N)c1C#N)OCCOc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 7/20 0.40
RPS27 P42677 4/20 0.40
AURKA O14965 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
MAPK9 P45984 4/20 0.36
MAPK10 P53779 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HTR7 P34969 2/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
PRKD3 O94806 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL10611877 0.91 CYP2D6 (0.43) MAPK8RPS27AURKACYP3A4CYP2D6
SCHEMBL9468250 0.85 MAPK8 (0.38) MAPK8RPS27MAPK9MAPK10ALDH1A1
SCHEMBL8891696 0.81 MAPK8 (0.38) MAPK8RPS27MAPK9MAPK10PRKD3
SCHEMBL11504988 0.81 AURKA (0.50) AURKACYP3A4CYP2D6ALDH1A1KDM4E
SCHEMBL11454175 0.76 MAPK8 (0.43) MAPK8RPS27MAPK9MAPK10PRKD3
SCHEMBL11506766 0.76 AURKA (0.34) AURKACYP3A4CYP2D6LMNAALDH1A1
SCHEMBL8891703 0.74 AURKA (0.47) MAPK8RPS27AURKACYP3A4CYP2D6
SCHEMBL9468243 0.74 MAPK8 (0.41) MAPK8RPS27MAPK9MAPK10ALDH1A1
SCHEMBL11504974 0.73 MEN1 (0.40) NPC1LMNARAB9AALDH1A1HTR7
SCHEMBL11326488 0.72 ALDH1A1 (0.37) MAPK8RPS27AURKACYP3A4CYP2D6

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
US-5602238-A FOR DYEING POLYESTER FIBERS COLORFAST RED SHADES CIBA-GEIGY CORPORATION (US) 1997-02-11 US disclosed
EP-0699718-A2 Azothiophene dyes with a 2,4,6-triamino-3-cyanopyridine coupling component CIBA-GEIGY AG (CH) 1996-03-06 EP disclosed
US-5196521-A Colorfastness; red; polyesters CIBA-GEIGY CORPORATION (US) 1993-03-23 US disclosed