SCHEMBL7754258

SCHEMBL7754258

Nc1nc(NCc2ccccc2)nc(N(Cc2ccccc2)Cc2ccccc2)n1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.57
GPR68 Q15743 6/20 0.57
ADORA2A P29274 3/20 0.52
HTR2B P41595 1/20 0.52
HTR1A P08908 1/20 0.48
APP P05067 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 1/20 0.44
KCNH3 Q9ULD8 1/20 0.44
ADORA3 P0DMS8 2/20 0.44
ADORA2B P29275 2/20 0.44
ADORA1 P30542 2/20 0.44
TPH1 P17752 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
SCHEMBL6723521 0.89 KCNH3 (0.54) NPSR1GPR68APPGAAKCNH3
SCHEMBL11292840 0.84 MAPT (0.50) ADORA2ASMN1; SMN2ADORA3ADORA2BADORA1
SCHEMBL14869452 0.83 NPSR1 (0.59) NPSR1GPR68ADORA2AHTR2BHTR1A
SCHEMBL10773378 0.82 PIM1 (0.43) NPSR1GPR68ADORA2AHTR2BHTR1A
SCHEMBL3301514 0.82 NPSR1 (0.74) NPSR1GPR68ADORA2AHTR2BHTR1A
SCHEMBL6727019 0.82 NPSR1 (0.74) NPSR1GPR68ADORA2AHTR2BHTR1A
Hydrochloric Acid SCHEMBL9247173 0.80 NPSR1 (0.72) NPSR1GPR68ADORA2AHTR2BHTR1A
SCHEMBL9621755 0.80 GPR68 (0.40) NPSR1GPR68ADORA2AHTR2BHTR1A
SCHEMBL20844355 0.76 MAPT (0.63) SMN1; SMN2
SCHEMBL11668680 0.76 GAA (0.50) NPSR1SMN1; SMN2GAA

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
WO-2001044333-A1 THERMOSETTING RESIN OBTAINED BY REACTION OF A TRIAZINE COMPOUND WITH AN ALDEHYDE AND AN ACTIVATED OLEFINIC COMPOUND DSM N.V. (NL) 2001-06-21 WO disclosed
EP-0006206-B1 MELAMINE GROUP-CONTAINING ACRYLATES AND/OR METHACRYLATES, POLYMERIZABLE AND CURABLE COMPOSITION THEREOF, MOLDED ARTICLE MADE OF THE POLYMERIZED AND CURED COMPOSITION AND RESIN MOLDED ARTICLE COATED WITH THE COMPOSITION TEIJIN LIMITED (JP) 1982-11-24 EP disclosed
EP-0006206-A1 Melamine group-containing acrylates and/or methacrylates, polymerizable and curable composition thereof, molded article made of the polymerized and cured composition and resin molded article coated with the composition TEIJIN LIMITED (JP) 1980-01-09 EP disclosed