SCHEMBL13635717

SCHEMBL13635717

CCC(C)(CNc1ccc(F)cc1)C(=O)Nc1ccc(Oc2cc(N)ncn2)c(F)c1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MET P08581 7/20 0.61
RAF1 P04049 7/20 0.45
KDR P35968 7/20 0.45
MAPK3 P27361 4/20 0.44
BRAF P15056 2/20 0.43
MAPK14 Q16539 1/20 0.43
TNNI3K Q59H18 1/20 0.43
HCK P08631 1/20 0.41
NR2C2 P49116 1/20 0.41

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
SCHEMBL2256670 0.81 MET (0.74) METRAF1KDRMAPK3
SCHEMBL1136853 0.79 MET (0.67) METRAF1KDRMAPK3BRAF
SCHEMBL1137024 0.76 MET (0.73) MET
SCHEMBL1136770 0.74 MET (0.64) METKDRHCK
SCHEMBL4335417 0.73 MET (0.60) METRAF1KDRMAPK3BRAF
SCHEMBL2256662 0.71 MET (0.62) METRAF1KDRMAPK3BRAF
SCHEMBL4337564 0.70 MET (0.62) METRAF1KDR
SCHEMBL1137007 0.70 MET (0.59) METRAF1KDRMAPK3BRAF
SCHEMBL23999220 0.70 MET (0.76) METKDR
SCHEMBL1136765 0.69 RAF1 (0.72) METRAF1KDRMAPK3BRAF

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
EP-2119706-A1 PYRIDINE OR PYRIMIDINE DERIVATIVE HAVING EXCELLENT CELL GROWTH INHIBITION EFFECT AND EXCELLENT ANTI-TUMOR EFFECT ON CELL STRAIN HAVING AMPLIFICATION OF HGFR GENE Eisai R&D Management Co., Ltd. (JP) 2009-11-18 EP disclosed