SCHEMBL7780260

SCHEMBL7780260

CN(c1cccc(C(F)(F)F)c1)c1cc(Cc2ccc(Cl)c(Cl)c2)ncn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
EGFR P00533 2/20 0.41
CSF1R P07333 2/20 0.41
CNR2 P34972 3/20 0.40
TMEM97 Q5BJF2 3/20 0.39
SIGMAR1 Q99720 1/20 0.39
CNR1 P21554 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KDR P35968 2/20 0.35
KCNH2 Q12809 3/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ATM Q13315 1/20 0.33
PTPN5 P54829 1/20 0.33
BRAF P15056 1/20 0.33
MAPK14 Q16539 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
SCHEMBL7782554 0.89 EGFR (0.45) RXRARXRBRXRGEGFRCSF1R
SCHEMBL7776065 0.85 S1PR1 (0.41) RXRARXRBRXRGEGFRCSF1R
SCHEMBL7776068 0.85 PYCR1 (0.38) RXRARXRBRXRGCNR2TMEM97
SCHEMBL7776059 0.82 CNR2 (0.33) RXRARXRBRXRGCNR2TMEM97
SCHEMBL7780184 0.78 KDR (0.40) RXRARXRBRXRGEGFRCSF1R
SCHEMBL7782549 0.78 RXRA (0.54) RXRARXRBRXRGEGFRCSF1R
SCHEMBL7781113 0.77 KDR (0.50) RXRARXRBRXRGEGFRCSF1R
SCHEMBL7783750 0.77 SLC6A2 (0.33) EGFRCSF1RCNR2TMEM97SIGMAR1
SCHEMBL7780155 0.76 PYCR1 (0.38) BRAF
SCHEMBL7780178 0.74 S1PR1 (0.39) CNR1MEN1KMT2A

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-0972770-B1 Acaricidal and insecticidal substituted pyrimidines and a process for the preparation thereof BASF AG (DE) 2001-09-19 EP claimed
US-6281219-B1 4,6-BIS-ARYL-PYRIMIDINES WHEREIN THE AROMATIC GROUPS ARE ATTACHED VIA TWO LINKING GROUPS WHICH ARE DIFFERENT FROM ONE ANOTHER. AMERICAN CYANAMID CO. 2001-08-28 US claimed
EP-0972770-A1 Acaricidal and insecticidal substituted pyrimidines and a process for the preparation thereof American Cyanamid Company (US) 2000-01-19 EP claimed