SCHEMBL8024904

SCHEMBL8024904

CCS(=O)(=O)c1ccc(C(C)Nc2ncnc(C(C)F)c2Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.37
EGFR P00533 9/20 0.37
PIK3CA P42336 2/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
GALR3 O60755 1/20 0.35
NR2F2 P24468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
P2RX3 P56373 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
ACACB O00763 1/20 0.34
PRCP P42785 1/20 0.33
POLB P06746 1/20 0.33
PRKDC P78527 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
SCHEMBL8014577 0.92 CNR1 (0.39) RORCEGFRPIK3CACNR1CNR2
SCHEMBL8014530 0.90 EGFR (0.34) RORCEGFRPIK3CACNR1CNR2
SCHEMBL8014444 0.88 SCN1A (0.36) EGFRKDM4EMEN1ALDH1A1MAPT
SCHEMBL8024331 0.88 EGFR (0.47) EGFRPIK3CACNR1CNR2GALR3
SCHEMBL8024830 0.80 CNR1 (0.35) EGFRCNR1CNR2GALR3NR2F2
SCHEMBL8024317 0.80 EGFR (0.49) EGFRCNR1CNR2GALR3NR2F2
SCHEMBL8014293 0.80 ALDH1A1 (0.44) EGFRCNR1CNR2GALR3NR2F2
SCHEMBL8014557 0.80 EGFR (0.37) EGFRCNR1CNR2GALR3NR2F2
SCHEMBL7173846 0.79 GALR3 (0.55) EGFRGALR3NR2F2MAPT
SCHEMBL7173843 0.79 GALR3 (0.55) EGFRGALR3NR2F2MAPT

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 3 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