SCHEMBL22874232

SCHEMBL22874232

Cn1cncc1-c1ccc2cc(-c3cncn3C)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.59
GSK3B P49841 17/20 0.52
DYRK1A Q13627 17/20 0.52
WNT1 P04628 5/20 0.52
HPGDS O60760 1/20 0.50
MMP2 P08253 1/20 0.50
MMP13 P45452 1/20 0.50
MMP14 P50281 1/20 0.50
CLK2 P49760 1/20 0.49
CLK3 P49761 1/20 0.49

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
SCHEMBL4515256 0.93 IDO1 (0.57) IDO1GSK3BDYRK1AWNT1HPGDS
SCHEMBL7528332 0.83 IDO1 (0.50) IDO1GSK3BDYRK1AWNT1HPGDS
SCHEMBL20916196 0.82 GSK3B (0.55) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL17559204 0.80 FGFR1 (0.51) IDO1GSK3BDYRK1AMMP2MMP13
SCHEMBL1502339 0.78 IDO1 (0.51) IDO1GSK3BDYRK1AWNT1HPGDS
SCHEMBL7832577 0.77 IDO1 (0.51) IDO1GSK3BDYRK1AWNT1HPGDS
SCHEMBL19174931 0.77 IDO1 (0.51) IDO1GSK3BDYRK1AWNT1HPGDS
SCHEMBL28035340 0.77 IDO1 (0.64) IDO1GSK3BDYRK1AHPGDS
Ammonia Solution, Strong SCHEMBL28862527 0.76 IDO1 (0.50) IDO1GSK3BDYRK1AWNT1HPGDS
SCHEMBL10985317 0.76 IDO1 (0.53) IDO1GSK3BDYRK1AWNT1HPGDS

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-20210008872-A1 COMPOSITION FOR ELECTRONIC DEVICES, INK FOR ELECTRONIC DEVICES, AND METHOD FOR PRODUCING ELECTRONIC DEVICE Konica Minolta, Inc. (JP) 2021-01-14 US disclosed