SCHEMBL4722901

SCHEMBL4722901

CCNc1cc(-c2cc(C)cc(-c3cnco3)c2)nn(-c2cc(-c3ccoc3)ccc2C(F)(F)F)c1=O

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 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
SCHEMBL4723056 0.92 LMNA (0.32) IMPDH2
SCHEMBL4719336 0.92
SCHEMBL4721894 0.90 PTK2 (0.30)
SCHEMBL4719853 0.88
SCHEMBL4722031 0.88 PTK2 (0.33) IMPDH2
SCHEMBL4724170 0.87 P2RX7 (0.32)
SCHEMBL4720181 0.87 NTRK1 (0.32)
SCHEMBL4720065 0.87 POLB (0.31)
SCHEMBL4721092 0.87 WNT3A (0.30)
SCHEMBL4719495 0.86 GSK3B (0.33)

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