SCHEMBL7780252

SCHEMBL7780252

CN(c1cccc(C(F)(F)F)c1)c1cc(Oc2ccc(Cl)c(C(F)(F)F)c2)ncn1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.48
BRAF P15056 8/20 0.48
MAPK14 Q16539 7/20 0.48
TNNI3K Q59H18 7/20 0.48
EGFR P00533 2/20 0.41
CSF1R P07333 2/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
RAF1 P04049 3/20 0.40
MAPK3 P27361 2/20 0.40
LIPE Q05469 2/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL7781113 0.93 KDR (0.50) KDRBRAFMAPK14TNNI3KEGFR
SCHEMBL7776073 0.89 KDR (0.48) KDRBRAFMAPK14TNNI3KEGFR
SCHEMBL7776080 0.87 KDR (0.52) KDRBRAFMAPK14TNNI3KEGFR
SCHEMBL7775742 0.86 KDR (0.48) KDRBRAFMAPK14TNNI3KEGFR
SCHEMBL7978765 0.86 KDR (0.56) KDRBRAFMAPK14TNNI3KEGFR
SCHEMBL7776101 0.84 KDR (0.42) KDRBRAFRAF1MAPK3HTR2A
SCHEMBL7781138 0.84 KDR (0.42) KDRBRAFRAF1MAPK3HTR2A
SCHEMBL8683809 0.82 KDR (0.48) KDRBRAFMAPK14TNNI3KEGFR
SCHEMBL7781098 0.81 KDR (0.40) KDRBRAFMAPK14TNNI3KRAF1
SCHEMBL7978762 0.81 EGFR (0.47) KDRBRAFMAPK14TNNI3KEGFR

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-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
EP-0972770-B1 Acaricidal and insecticidal substituted pyrimidines and a process for the preparation thereof BASF AG (DE) 2001-09-19 EP disclosed
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 disclosed
EP-0972770-A1 Acaricidal and insecticidal substituted pyrimidines and a process for the preparation thereof American Cyanamid Company (US) 2000-01-19 EP disclosed