SCHEMBL4765735

SCHEMBL4765735

COc1cc(OC)cc(-c2nn(-c3cc(N4CCC(O)C4)ccc3C(F)(F)F)c(=O)c3c2cc(C)n3CCO)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.36
P2RX7 Q99572 1/20 0.35
F2 P00734 1/20 0.35
ROCK2 O75116 2/20 0.35
SOS1 Q07889 2/20 0.34
MYC P01106 2/20 0.32
WDR5 P61964 2/20 0.32
PDE7A Q13946 1/20 0.32
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
CACNA2D1 P54289 1/20 0.32
CACNA2D2 Q9NY47 1/20 0.32

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
SCHEMBL4765719 1.00 F10 (0.36) F10P2RX7F2ROCK2SOS1
SCHEMBL14102004 0.90 F10 (0.37) F10F2
SCHEMBL4722255 0.88 F10 (0.37) F10P2RX7F2ROCK2SOS1
SCHEMBL4722250 0.88 F10 (0.37) F10P2RX7F2ROCK2SOS1
SCHEMBL4724109 0.85 P2RX7 (0.40) F10P2RX7F2SOS1PDE7A
SCHEMBL4724107 0.85 P2RX7 (0.40) F10P2RX7F2SOS1PDE7A
SCHEMBL4719565 0.84 PDE7A (0.38) F10P2RX7F2ROCK2SOS1
SCHEMBL4719571 0.84 PDE7A (0.38) F10P2RX7F2ROCK2SOS1
SCHEMBL4722230 0.84 SOS1 (0.37) F10P2RX7F2SOS1PDE7A
SCHEMBL4722228 0.84 SOS1 (0.37) F10P2RX7F2SOS1PDE7A

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