SCHEMBL4723349

SCHEMBL4723349

Cc1cc(-c2cnco2)cc(-c2nn(-c3cc(NCCO)ccc3C(F)(F)F)c(=O)c3c2CCCN3)c1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 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
SCHEMBL4721704 0.85 MEN1 (0.34)
SCHEMBL4722715 0.85 MAPT (0.34)
SCHEMBL14101707 0.84 PARP1 (0.33)
SCHEMBL4721052 0.83 MEN1 (0.31)
SCHEMBL4719078 0.83 PARP1 (0.30)
SCHEMBL4719220 0.81 P2RX7 (0.34)
SCHEMBL4719218 0.81 P2RX7 (0.34)
SCHEMBL4720122 0.81 P2RX7 (0.34)
SCHEMBL4720084 0.81 NAMPT (0.33) PTK2
SCHEMBL4724073 0.80 NTRK1 (0.32) PTK2

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed