SCHEMBL9912207

SCHEMBL9912207

N#CCc1cccc(-c2cc(NCCc3c(F)cccc3Cl)nc(O)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 8/20 0.51
ADORA2A P29274 1/20 0.38
MMP3 P08254 1/20 0.37
LCK P06239 2/20 0.37
BTK Q06187 2/20 0.37
MAPK14 Q16539 2/20 0.37
PIK3CA P42336 2/20 0.35
PIK3CB P42338 2/20 0.35
PIK3CG P48736 2/20 0.35
PAK1 Q13153 1/20 0.34
CNR1 P21554 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
NRP1 O14786 1/20 0.33
CD38 P28907 1/20 0.33

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
SCHEMBL4490461 0.86 PTGDR (0.69) PTGDR
SCHEMBL9912276 0.81 PTGDR (0.63) PTGDRADORA2AMMP3PIK3CAPIK3CB
SCHEMBL9912199 0.78 PTGDR (0.51) PTGDRLCKBTKMAPK14CNR1
SCHEMBL4503611 0.76 PTGDR (0.74) PTGDR
SCHEMBL13895069 0.74 PTGDR (0.73) PTGDR
SCHEMBL4490256 0.73 PTGDR (0.75) PTGDRLCKBTKMAPK14
SCHEMBL4503117 0.72 PTGDR (0.67) PTGDR
SCHEMBL13895066 0.72 PTGDR (0.47) PTGDRLCKBTKMAPK14PIK3CA
SCHEMBL4504101 0.71 PTGDR (0.66) PTGDR
SCHEMBL9911102 0.71 PTGDR (0.65) PTGDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193183-B2 2,6-substituted-4-monosubstitutedamino-pyrimidine as prostaglandin D2 receptor antagonists AVENTIS PHARMACEUTICALS INC. (US) 2012-06-05 US disclosed