SCHEMBL13635344

SCHEMBL13635344

NC1=CC(Oc2ccc(N)c(F)c2)=CCN1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
NR4A1 P22736 1/20 0.34

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
SCHEMBL13635347 0.79 SLC6A2 (0.40)
SCHEMBL13635721 0.78 ALDH1A1 (0.45) ALDH1A1
SCHEMBL863328 0.73 NR4A1 (0.61) ALDH1A1NR4A1
SCHEMBL13635345 0.72 MAPK14 (0.34)
SCHEMBL5737660 0.69 ALDH1A1 (0.35) ALDH1A1NR4A1
SCHEMBL31522011 0.68 SOS1 (0.55) ALDH1A1NR4A1
SCHEMBL29036491 0.67 ALDH1A1 (0.33) ALDH1A1NR4A1
SCHEMBL29394218 0.67 ALDH1A1 (0.58) ALDH1A1NR4A1
SCHEMBL23637719 0.66 NR4A1 (0.47) ALDH1A1NR4A1
SCHEMBL29397217 0.66 NR4A1 (0.47) ALDH1A1NR4A1

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 2 patents. 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
EP-1889836-A1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (3) Eisai R&D Management Co., Ltd. (JP) 2008-02-20 EP disclosed