SCHEMBL8024331

SCHEMBL8024331

CC(F)c1ncnc(NC(C)c2ccc(S(C)(=O)=O)cc2)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.47
P2RX3 P56373 1/20 0.44
PIK3CA P42336 2/20 0.39
GPR55 Q9Y2T6 2/20 0.38
PIP4K2A P48426 1/20 0.38
PIP4K2C Q8TBX8 1/20 0.38
PTGS2 P35354 2/20 0.38
PIK3CD O00329 1/20 0.37
GALR3 O60755 1/20 0.36
NR2F2 P24468 1/20 0.36
PRCP P42785 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
PRKDC P78527 1/20 0.36

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
SCHEMBL8024904 0.88 RORC (0.37) EGFRP2RX3PIK3CAGALR3NR2F2
SCHEMBL8014577 0.85 CNR1 (0.39) EGFRP2RX3PIK3CAGALR3NR2F2
SCHEMBL8014530 0.83 EGFR (0.34) EGFRP2RX3PIK3CAGALR3NR2F2
SCHEMBL8024317 0.82 EGFR (0.49) EGFRGALR3NR2F2CNR1CNR2
SCHEMBL8014293 0.81 ALDH1A1 (0.44) EGFRGALR3NR2F2CNR1CNR2
SCHEMBL9838083 0.81 EGFR (0.47) EGFRP2RX3PIK3CAGPR55PIP4K2A
SCHEMBL8028223 0.81 GALR3 (0.55) EGFRGALR3NR2F2
SCHEMBL7173843 0.81 GALR3 (0.55) EGFRGALR3NR2F2
SCHEMBL7173840 0.81 GALR3 (0.55) EGFRGALR3NR2F2
SCHEMBL7173846 0.81 GALR3 (0.55) EGFRGALR3NR2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0543402-B1 Aralkylaminopyrimidine derivative, method for preparing the same and composition for controlling noxious organisms UBE INDUSTRIES (JP) 2000-03-01 EP claimed
US-5280025-A Aralkylaminopyrimidine derivative, and chemical for controlling noxious organisms containing the same UBE INDUSTRIES, LTD. (JP) 1994-01-18 US claimed
EP-0543402-A1 Aralkylaminopyrimidine derivative, method for preparing the same and chemical for controlling noxious organisms containing the same UBE INDUSTRIES, LTD. (JP) 1993-05-26 EP claimed
EP-0543402-B1 Aralkylaminopyrimidine derivative, method for preparing the same and composition for controlling noxious organisms UBE INDUSTRIES (JP) 2000-03-01 EP disclosed
US-5280025-A Aralkylaminopyrimidine derivative, and chemical for controlling noxious organisms containing the same UBE INDUSTRIES, LTD. (JP) 1994-01-18 US disclosed
EP-0543402-A1 Aralkylaminopyrimidine derivative, method for preparing the same and chemical for controlling noxious organisms containing the same UBE INDUSTRIES, LTD. (JP) 1993-05-26 EP disclosed