SCHEMBL4720665

SCHEMBL4720665

CCNc1cc(-c2cc(C)cc(-c3cnco3)c2)nn(-c2cc(N3CCC(O)C3=O)ccc2C(F)(F)F)c1=O

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.31
GPR119 Q8TDV5 1/20 0.30
JAK3 P52333 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
SCHEMBL4720659 1.00 PTK2 (0.31) PTK2GPR119JAK3
SCHEMBL4720492 0.88 P2RX7 (0.34) GPR119JAK3
SCHEMBL4720488 0.88 P2RX7 (0.34) GPR119JAK3
SCHEMBL4718681 0.88
SCHEMBL4724965 0.87 FFAR1 (0.33)
SCHEMBL4724962 0.87 JAK3 (0.33) PTK2JAK3
SCHEMBL4724817 0.86 F10 (0.33)
SCHEMBL4724185 0.86 F10 (0.32)
SCHEMBL4719688 0.86 GHSR (0.31)
SCHEMBL4719237 0.86 CMA1 (0.31)

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