SCHEMBL10773378

SCHEMBL10773378

NCc1cccc(CNc2nc(N)nc(N(Cc3cccc(CN)c3)Cc3cccc(CN)c3)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.43
GPR68 Q15743 6/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTR1A P08908 1/20 0.41
ADORA2A P29274 1/20 0.39
HTR2B P41595 1/20 0.39
HRH4 Q9H3N8 2/20 0.37
HUWE1 Q7Z6Z7 1/20 0.36
APP P05067 3/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
TPH1 P17752 1/20 0.36
TLR7 Q9NYK1 1/20 0.36

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
SCHEMBL9621755 0.90 GPR68 (0.40) GPR68NPSR1HTR1AADORA2AHTR2B
SCHEMBL7754258 0.82 NPSR1 (0.57) GPR68NPSR1HTR1AADORA2AHTR2B
SCHEMBL6723521 0.70 KCNH3 (0.54) GPR68NPSR1APP
SCHEMBL14869452 0.69 NPSR1 (0.59) GPR68NPSR1HTR1AADORA2AHTR2B
SCHEMBL11292840 0.68 MAPT (0.50) ADORA2ANOS1
SCHEMBL14503120 0.67 HTT (0.52) PIM1NPSR1
SCHEMBL6727019 0.66 NPSR1 (0.74) GPR68NPSR1HTR1AADORA2AHTR2B
SCHEMBL3301514 0.66 NPSR1 (0.74) GPR68NPSR1HTR1AADORA2AHTR2B
SCHEMBL15721117 0.65 HTR7 (0.46) ADORA2ACA1CA2CA9TLR7
SCHEMBL5383957 0.65 HTT (0.44) PIM1HRH4HUWE1

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
EP-0240867-A1 Process for the preparation of aminoalkyl- or -arylmelamines BASF Aktiengesellschaft (DE) 1987-10-14 EP disclosed