SCHEMBL11101221

SCHEMBL11101221

CCCc1c(Cl)ncnc1NCCOc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.54
▸ PIK3R1 P27986 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.44
▸ HTR1B P28222 2/20 0.43
▸ HTR1D P28221 1/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ DRD2 P14416 5/20 0.40
▸ DRD4 P21917 5/20 0.40
▸ DRD3 P35462 4/20 0.40
▸ LDHA P00338 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ GPR84 Q9NQS5 1/20 0.39
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL11104537 0.89 PIK3CD (0.56) PIK3CDPIK3R1ALDH1A1HTR1BHTR1D
SCHEMBL11112404 0.78 PIK3CD (0.53) PIK3CDPIK3R1HTR1BHTR1DHTR7
SCHEMBL11108346 0.78 PDE5A (0.41) PIK3CDPIK3R1ALDH1A1LDHA
SCHEMBL11109514 0.77 PIK3CD (0.57) PIK3CDPIK3R1ALDH1A1HTR1BHTR1D
SCHEMBL9471998 0.73 PIK3CD (0.51) PIK3CDPIK3R1ALDH1A1HTR1BHTR1D
SCHEMBL24718609 0.73 GALR3 (0.39) PIK3CDPIK3R1ALDH1A1NPC1RAB9A
SCHEMBL11102255 0.73 PIK3CD (0.53) PIK3CDPIK3R1HTR1BHTR1DHTR7
SCHEMBL4308925 0.73 PIK3CD (0.52) PIK3CDPIK3R1ALDH1A1HTR1BHTR1D
SCHEMBL11100914 0.73 L3MBTL1 (0.46) PIK3CDPIK3R1ALDH1A1LDHA
SCHEMBL11110639 0.73 DRD2 (0.43) PIK3CDPIK3R1ALDH1A1HTR1BDRD2

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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