SCHEMBL6727019

SCHEMBL6727019

Nc1nc(NCc2ccccc2)nc(NCc2ccccc2)n1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.74
GPR68 Q15743 5/20 0.68
KCNH3 Q9ULD8 2/20 0.61
APP P05067 2/20 0.61
GAA P10253 1/20 0.61
ADORA2A P29274 1/20 0.60
HTR2B P41595 1/20 0.60
HTR1A P08908 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.57
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
RAD52 P43351 1/20 0.53
DHFR P00374 1/20 0.53

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
SCHEMBL3301514 0.96 NPSR1 (0.74) NPSR1GPR68KCNH3APPGAA
Hydrochloric Acid SCHEMBL9247173 0.94 NPSR1 (0.72) NPSR1GPR68KCNH3APPGAA
SCHEMBL14869402 0.91 NPSR1 (0.64) NPSR1GPR68KCNH3APPGAA
SCHEMBL29609599 0.91 NPSR1 (0.64) NPSR1GPR68KCNH3APPGAA
SCHEMBL3298289 0.89 KCNH3 (0.73) NPSR1KCNH3APPGAARAD52
SCHEMBL14869439 0.87 GAA (0.71) NPSR1GPR68APPGAAADORA2A
SCHEMBL8058873 0.87 NPSR1 (0.59) NPSR1GPR68KCNH3APPGAA
SCHEMBL8047176 0.84 NPSR1 (0.56) NPSR1GPR68KCNH3APPGAA
SCHEMBL11819405 0.83 NPSR1 (0.59) NPSR1GPR68ADORA2AHTR2BSMN1; SMN2
SCHEMBL14869452 0.83 NPSR1 (0.59) NPSR1GPR68APPGAAADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040200993-A1 Reactive liquid polymer crosslinking agent and process for preparation LCB WORLDWIDE, INC. 2004-10-14 US claimed
US-20030168629-A1 Reactive liquid polymer crosslinking agent and process for preparation LCB WORLDWIDE, INC. 2003-09-11 US claimed
US-20040200993-A1 Reactive liquid polymer crosslinking agent and process for preparation LCB WORLDWIDE, INC. 2004-10-14 US disclosed
US-20030168629-A1 Reactive liquid polymer crosslinking agent and process for preparation LCB WORLDWIDE, INC. 2003-09-11 US disclosed
WO-2003050094-A1 REACTIVE LIQUID POLYMER CROSSLINKING AGENT AND PROCESS FOR PREPARATION LCB WORLDWIDE INC. (US) 2003-06-19 WO disclosed
EP-0711760-B1 METHOD OF ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL IND LTD (JP) 2002-05-15 EP disclosed
US-6130332-A USING A GROUP 8 METAL CATALYST AND ALDEHYDES OR KETONE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-10-10 US disclosed
US-5792867-A Method of alkylating of triazine derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-08-11 US disclosed
EP-0760369-A1 PROCESS FOR ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-03-05 EP disclosed
EP-0711760-A1 METHOD OF ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-05-15 EP disclosed