SCHEMBL9520962

SCHEMBL9520962

CCOc1cc(C)nc(-n2cccn2)n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
ADORA2A P29274 7/20 0.40
LMNA P02545 3/20 0.39
TSHR P16473 2/20 0.39
HCRTR1 O43613 3/20 0.38
HCRTR2 O43614 3/20 0.38
HTT P42858 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BDKRB2 P30411 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL10575533 0.85 HCRTR1 (0.42) SMN1; SMN2ADORA2ALMNAHCRTR1HCRTR2
SCHEMBL9522293 0.83 MEN1 (0.49) SMN1; SMN2ADORA2ALMNATSHRHCRTR1
SCHEMBL961121 0.81 ADORA2A (0.47) ADORA2ALMNAHCRTR1HCRTR2HTT
SCHEMBL9521243 0.73 SMN1; SMN2 (0.42) SMN1; SMN2LMNATSHRHTTNPSR1
SCHEMBL18005401 0.71 TSHR (0.51) SMN1; SMN2LMNATSHRHTTNPSR1
SCHEMBL10677397 0.71 ADORA2A (0.40) ADORA2ALMNAHTTADORA3ADORA2B
SCHEMBL13966673 0.70 SMN1; SMN2 (0.61) SMN1; SMN2LMNAHTTMAPK1KDM4E
SCHEMBL8363953 0.69 ADORA2A (0.44) ADORA2ALMNAHCRTR1HCRTR2HTT
SCHEMBL28870957 0.69 HTT (0.62) ADORA2ALMNAHTTADORA3ADORA2B
SCHEMBL30620582 0.69 KDM4E (0.62) SMN1; SMN2ADORA2ALMNAHCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0257850-B1 Pyrimidine derivatives NISSIN FOOD PRODUCTS LTD (JP) 1993-12-08 EP claimed
US-4849424-A ANTIULCER AGENTS NISSIN SHOKUHIN KABUSHIKI KAISHA (JP) 1989-07-18 US claimed
EP-0257850-A2 Pyrimidine derivatives NISSIN SHOKUHIN KABUSHIKI KAISHA doing international business as NISSIN FOOD PRODUCTS CO., LTD. (JP) 1988-03-02 EP claimed
EP-0257850-B1 Pyrimidine derivatives NISSIN FOOD PRODUCTS LTD (JP) 1993-12-08 EP disclosed
US-4849424-A ANTIULCER AGENTS NISSIN SHOKUHIN KABUSHIKI KAISHA (JP) 1989-07-18 US disclosed
EP-0257850-A2 Pyrimidine derivatives NISSIN SHOKUHIN KABUSHIKI KAISHA doing international business as NISSIN FOOD PRODUCTS CO., LTD. (JP) 1988-03-02 EP disclosed