SCHEMBL13635346

SCHEMBL13635346

Nc1cc(Oc2ccc(NC(=O)C3(C=O)CC3)c(F)c2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.52
BRAF P15056 4/20 0.47
MET P08581 8/20 0.43
KDR P35968 6/20 0.40
EPHB6 O15197 1/20 0.40
RIPK2 O43353 1/20 0.40
ABL1 P00519 1/20 0.40
NTRK1 P04629 1/20 0.40
LCK P06239 1/20 0.40
LYN P07948 1/20 0.40
RET P07949 1/20 0.40
HCK P08631 1/20 0.40
PDGFRB P09619 1/20 0.40
BCR P11274 1/20 0.40
EPHA2 P29317 1/20 0.40
EPHB2 P29323 1/20 0.40
FLT3 P36888 1/20 0.40
ABL2 P42684 1/20 0.40
FRK P42685 1/20 0.40
LIMK1 P53667 1/20 0.40

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
SCHEMBL14290052 0.84 MET (0.44) MAPK14METKDRRIPK2ABL1
SCHEMBL15015146 0.81 MET (0.62) METKDRRETFLT3
SCHEMBL3561767 0.81 MAPK14 (0.61) MAPK14BRAFMETKDRABL1
SCHEMBL13635722 0.81 MET (0.53) MAPK14BRAFMETKDREPHB6
SCHEMBL139145 0.81 MET (0.59) MAPK14METKDREPHB6RIPK2
SCHEMBL14290084 0.81 MAPK14 (0.52) MAPK14BRAFMETKDREPHB6
Hydrochloric Acid SCHEMBL3560789 0.80 MET (0.58) MAPK14METKDREPHB6RIPK2
SCHEMBL13635345 0.78 MAPK14 (0.34) MAPK14BRAFMETKDREPHB6
SCHEMBL2854954 0.78 MAPK14 (0.60) MAPK14BRAFMETKDRRIPK2
SCHEMBL13635260 0.77 MET (0.47) MAPK14BRAFMETKDREPHB6

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-1889836-B1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (3) EISAI R&D MAN CO LTD (JP) 2013-06-12 EP disclosed
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
EP-1889836-A1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (3) Eisai R&D Management Co., Ltd. (JP) 2008-02-20 EP disclosed