SCHEMBL11108141

SCHEMBL11108141

CCc1ccccc1OCCNc1ncnc(C)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.47
▸ MAPT P10636 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ BRD4 O60885 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ ERBB2 P04626 1/20 0.42
▸ ERBB4 Q15303 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ LDHA P00338 1/20 0.40
▸ PDE5A O76074 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ LMNA P02545 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CYP2D6 P10635 1/20 0.37
▸ TSHR P16473 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
SCHEMBL11100661 0.90 PPARD (0.41) L3MBTL1MAPTNPSR1BRD4EGFR
SCHEMBL11105712 0.87 L3MBTL1 (0.44) L3MBTL1MAPTNPSR1BRD4EGFR
SCHEMBL11286552 0.87 L3MBTL1 (0.44) L3MBTL1MAPTNPSR1BRD4EGFR
SCHEMBL11287764 0.87 L3MBTL1 (0.44) L3MBTL1MAPTNPSR1BRD4EGFR
SCHEMBL11111031 0.85 L3MBTL1 (0.43) L3MBTL1MAPTNPSR1BRD4EGFR
SCHEMBL11104973 0.85 KDM4E (0.47) MAPTBRD4EGFRERBB2ERBB4
SCHEMBL11109252 0.85 DRD2 (0.47) MAPTBRD4EGFRERBB2ERBB4
SCHEMBL11102123 0.83 MEN1 (0.47) L3MBTL1MAPTBRD4EGFRERBB2
SCHEMBL11106513 0.81 LMNA (0.45) L3MBTL1MAPTBRD4EGFRERBB2
SCHEMBL11254421 0.81 LDHA (0.65) 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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