SCHEMBL17220123

SCHEMBL17220123

CN(c1cccc(Cl)c1)c1nc(N)nc(C#N)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
LMNA P02545 1/20 0.55
TSHR P16473 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ADORA2A P29274 3/20 0.44
ADORA1 P30542 3/20 0.44
ADORA2B P29275 2/20 0.44
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
GRM4 Q14833 1/20 0.38
EGFR P00533 1/20 0.37

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
SCHEMBL795723 0.85 MAPT (0.56) MAPTLMNATSHRSMN1; SMN2ADORA2A
SCHEMBL17220379 0.84 MAPT (0.55) MAPTLMNATSHRSMN1; SMN2ADORA2A
SCHEMBL17220093 0.83 MAPT (0.52) MAPTLMNATSHRSMN1; SMN2CRHBP
SCHEMBL796039 0.83 MAPT (0.72) MAPTLMNATSHRSMN1; SMN2CTSK
SCHEMBL17220463 0.82 MAPT (0.52) MAPTLMNATSHRSMN1; SMN2ADORA2A
SCHEMBL15100699 0.82 RECQL (0.47) MAPTTSHRSMN1; SMN2NPSR1HTR3E
SCHEMBL17220240 0.81 MAPT (0.51) MAPTLMNATSHRSMN1; SMN2CTSS
SCHEMBL17220005 0.76 TSHR (0.54) MAPTLMNATSHRSMN1; SMN2ADORA2A
SCHEMBL17220217 0.76 MAPT (0.54) MAPTLMNATSHRSMN1; SMN2ADORA2A
SCHEMBL17220458 0.75 MAPT (0.52) MAPTLMNATSHRSMN1; SMN2ADORA2A

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-2616465-B1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2015-11-04 EP disclosed