SCHEMBL4723400

SCHEMBL4723400

CCNc1cc(-c2cc(C)cc(-c3cnco3)c2)nn(-c2cc(N3CCN(C(C)=O)CC3)ccc2C(F)(F)F)c1=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 13/20 0.36
JAK3 P52333 1/20 0.35
WNT3A P56704 3/20 0.35
CCNT1 O60563 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33
ENPP2 Q13822 1/20 0.33
AOC3 Q16853 1/20 0.33

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
SCHEMBL4724962 0.92 JAK3 (0.33) JAK3
SCHEMBL4721381 0.90 IMPDH2 (0.34) JAK3
SCHEMBL4720488 0.87 P2RX7 (0.34) JAK3
SCHEMBL4720492 0.87 P2RX7 (0.34) JAK3
SCHEMBL4719688 0.87 GHSR (0.31)
SCHEMBL4721936 0.86 SYK (0.31)
SCHEMBL4723056 0.85 LMNA (0.32)
SCHEMBL4724965 0.85 FFAR1 (0.33)
SCHEMBL4720665 0.84 PTK2 (0.31) JAK3
SCHEMBL4720659 0.84 PTK2 (0.31) JAK3

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