SCHEMBL4721229

SCHEMBL4721229

CCc1ccc2c(-c3cc(OC)cc(OC)c3)nn(-c3cc(N4CC[C@H](O)C4)ccc3C(F)(F)F)c(=O)c2n1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.34
SOS1 Q07889 2/20 0.34
P2RX7 Q99572 1/20 0.34
F2 P00734 1/20 0.34
PDE7A Q13946 1/20 0.34
RORC P51449 1/20 0.33
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
ROCK2 O75116 1/20 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
S1PR1 P21453 1/20 0.31

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
SCHEMBL4721232 1.00 F10 (0.34) F10SOS1P2RX7F2PDE7A
SCHEMBL4722228 0.91 SOS1 (0.37) F10SOS1P2RX7F2PDE7A
SCHEMBL4722230 0.91 SOS1 (0.37) F10SOS1P2RX7F2PDE7A
SCHEMBL4721496 0.86 SLC40A1 (0.38) F10SOS1P2RX7F2RORC
SCHEMBL4721494 0.86 SLC40A1 (0.38) F10SOS1P2RX7F2RORC
SCHEMBL4721205 0.84 PDE7A (0.35) F10SOS1P2RX7F2PDE7A
SCHEMBL4721209 0.84 PDE7A (0.35) F10SOS1P2RX7F2PDE7A
SCHEMBL4724109 0.83 P2RX7 (0.40) F10SOS1P2RX7F2PDE7A
SCHEMBL4724107 0.83 P2RX7 (0.40) F10SOS1P2RX7F2PDE7A
SCHEMBL4719312 0.83 F10 (0.35) F10SOS1P2RX7F2PDE7A

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