SCHEMBL16623503

SCHEMBL16623503

N=C(c1ccc(N2CCN2)cc1)c1c(Nc2c(F)cccc2F)cc[nH]c1=O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.35
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
PARP1 P09874 1/20 0.30

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
SCHEMBL17849249 0.87 EGFR (0.40) EGFRJAK2JAK1
SCHEMBL17849221 0.86 EIF2AK2 (0.34) EGFRJAK2JAK1PARP1
SCHEMBL17849188 0.85 EGFR (0.40) EGFRJAK2JAK1
SCHEMBL16623565 0.83 ALDH1A1 (0.41)
SCHEMBL18052623 0.82 EGFR (0.36) EGFRJAK2JAK1
SCHEMBL16623558 0.82 PARP1 (0.34) PARP1
SCHEMBL16623493 0.81 TYK2 (0.39) JAK2JAK1
SCHEMBL16623511 0.81 TYK2 (0.38) JAK2PARP1
SCHEMBL17849248 0.80 EGFR (0.41) EGFRJAK2JAK1
SCHEMBL16623568 0.80 EGFR (0.38) EGFRJAK2JAK1

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-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 EP disclosed