SCHEMBL11103205

SCHEMBL11103205

CCc1ccc(OCCNc2ncnc(Cl)c2C)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 2/20 0.40
PDE5A O76074 3/20 0.38
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
PIK3CD O00329 1/20 0.35
PIK3R1 P27986 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
STAT3 P40763 1/20 0.35
KMT2A Q03164 1/20 0.35
BRD4 O60885 1/20 0.35
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
ERBB4 Q15303 1/20 0.35
LMNA P02545 2/20 0.34
S1PR2 O95136 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
LPAR2 Q9HBW0 1/20 0.34
CHRM4 P08173 1/20 0.34

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
SCHEMBL11110174 0.91 GALR3 (0.41) GALR3PDE5ARAB9ASMN1; SMN2MEN1
SCHEMBL11106244 0.91 GALR3 (0.40) GALR3PDE5ARAB9ASMN1; SMN2PIK3CD
SCHEMBL11107956 0.88 PDE5A (0.37) GALR3PDE5ARAB9ASMN1; SMN2MEN1
SCHEMBL11034640 0.88 S1PR2 (0.40) GALR3SMN1; SMN2MEN1MAPK1STAT3
SCHEMBL11110500 0.87 S1PR2 (0.41) GALR3SMN1; SMN2MEN1MAPK1STAT3
SCHEMBL11107134 0.87 S1PR2 (0.41) GALR3SMN1; SMN2MEN1MAPK1STAT3
SCHEMBL11111531 0.87 S1PR2 (0.41) GALR3SMN1; SMN2MEN1MAPK1STAT3
SCHEMBL11286500 0.86 KDM4E (0.45) RAB9ASMN1; SMN2PIK3CDPIK3R1MEN1
SCHEMBL11111880 0.86 SMN1; SMN2 (0.43) GALR3RAB9ASMN1; SMN2PIK3CDPIK3R1
SCHEMBL11105399 0.86 MAPT (0.39) GALR3SMN1; SMN2MEN1MAPK1KMT2A

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