SCHEMBL4721936

SCHEMBL4721936

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

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SYK P43405 11/20 0.31
ITGB2 P05107 1/20 0.30
ICAM1 P05362 1/20 0.30
ITGAL P20701 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
SCHEMBL4720492 0.92 P2RX7 (0.34) SYKITGB2ICAM1ITGAL
SCHEMBL4720488 0.92 P2RX7 (0.34) SYKITGB2ICAM1ITGAL
SCHEMBL4719688 0.92 GHSR (0.31)
SCHEMBL4724962 0.88 JAK3 (0.33)
SCHEMBL4721381 0.87 IMPDH2 (0.34) SYK
SCHEMBL4721515 0.87 P2RX7 (0.33)
SCHEMBL4721510 0.87 P2RX7 (0.33)
SCHEMBL4723400 0.86 ALK (0.36)
SCHEMBL4720659 0.85 PTK2 (0.31)
SCHEMBL4720665 0.85 PTK2 (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