SCHEMBL11111031

SCHEMBL11111031

CCCCc1c(C)ncnc1NCCOc1ccccc1CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ HPGD P15428 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ BRD4 O60885 2/20 0.39
▸ EGFR P00533 1/20 0.39
▸ ERBB2 P04626 1/20 0.39
▸ ERBB4 Q15303 1/20 0.39
▸ PDE5A O76074 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ S1PR2 O95136 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ TLR8 Q9NR97 5/20 0.37
▸ TLR7 Q9NYK1 5/20 0.37
▸ PPARD Q03181 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
SCHEMBL11107063 0.88 SMN1; SMN2 (0.45) MAPTNPSR1BRD4EGFRERBB2
SCHEMBL11108141 0.85 L3MBTL1 (0.47) L3MBTL1MAPTNPSR1HPGDATM
SCHEMBL11286552 0.83 L3MBTL1 (0.44) L3MBTL1MAPTNPSR1HPGDATM
SCHEMBL11287764 0.83 L3MBTL1 (0.44) L3MBTL1MAPTNPSR1HPGDATM
SCHEMBL11100661 0.81 PPARD (0.41) L3MBTL1MAPTNPSR1BRD4EGFR
SCHEMBL11100914 0.79 L3MBTL1 (0.46) L3MBTL1MAPTNPSR1HPGDATM
SCHEMBL11292499 0.79 PDE5A (0.41) L3MBTL1MAPTNPSR1BRD4EGFR
SCHEMBL11284055 0.79 PPARD (0.40) L3MBTL1MAPTNPSR1BRD4EGFR
SCHEMBL11105712 0.78 L3MBTL1 (0.44) L3MBTL1MAPTNPSR1HPGDATM
SCHEMBL11254758 0.78 LMNA (0.62) MAPTNPSR1BRD4EGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4435402-A Aminopyrimidine derivatives, processes for their preparation, and fungicidal, insecticidal and acaricidal compositions containing them SANKYO COMPANY, LIMITED (JP) 1984-03-06 — — US disclosed
EP-0057440-A1 Aminopyrimidine derivatives, processes for their preparation, and fungicidal, insecticidal and acaricidal compositions containing them SANKYO COMPANY LIMITED (JP) 1982-08-11 — — EP disclosed
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